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Ineffectiveness of the Dzyaloshinskii-Moriya interaction in the dynamical quantum phase transition in the ITF model: Quantum phase transition occurs at a quantum critical value of a control parameter such as the magnetic field in the Ising model in a transverse magnetic field (ITF). Recently, it is shown that ramping across the quantum critical point generates non-analytic behaviors in the time evolution of a closed quantum system in the thermodynamic limit at zero temperature. The mentioned phenomenon is called the dynamical quantum phase transition (DQPT). Here, we consider the one-dimensional (1D) ITF model with added the Dzyaloshinskii-Moriya interaction (DMI). Using the fermionization technique, the Hamiltonian is exactly diagonalized. Although the DM interaction induces chiral phase in the ground state phase diagram of the model, the study of the rate function of the return probability has proven that the DMI does not affect in the DQPT. We conclude accordingly that the ramping across the quantum critical point is not a necessary and sufficient condition for DQPT.
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Strong correlation induced charge localization in antiferromagnets: The fate of an injected hole in a Mott antiferromagnet is an outstanding issue of strongly correlated physics. It provides important insights into doped Mott insulators closely related to high-temperature superconductivity in cuprates. Here, we report a systematic numerical study based on the density matrix renormalization group (DMRG). It reveals a remarkable novelty and surprise for the single hole's motion in otherwise well-understood Mott insulators. Specifically, we find that the charge of the hole is self-localized by a novel quantum interference mechanism purely of strong correlation origin, in contrast to Anderson localization due to disorders. The common belief of quasiparticle picture is invalidated by the charge localization concomitant with spin-charge separation: the spin of the doped hole is found to remain a mobile object. Our findings unveil a new paradigm for doped Mott insulators that emerges already in the simplest single hole case.
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Hartree-Fock study of the moiré Hubbard model for twisted bilayer transition metal dichalcogenides: Twisted bilayer transition metal dichalcogenides have emerged as important model systems for the investigation of correlated electron physics because their interaction strength, carrier concentration, band structure, and inversion symmetry breaking are controllable by device fabrication, twist angle, and most importantly, gate voltage, which can be varied in situ. The low energy physics of some of these materials has been shown to be described by a "moir\'e Hubbard model" generalized from the usual Hubbard model by the addition of strong, tunable spin orbit coupling and inversion symmetry breaking. In this work, we use a Hartree-Fock approximation to reach a comprehensive understanding of the moir\'e Hubbard model on the mean field level. We determine the magnetic and metal-insulator phase diagrams, and assess the effects of spin orbit coupling, inversion symmetry breaking, and the tunable van Hove singularity. We also consider the spin and orbital effects of applied magnetic fields. This work provides guidance for experiments and sets the stage for beyond mean-field calculations.
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Vortex creation and control in the Kitaev spin liquid by local bond modulations: The Kitaev model realizes a quantum spin liquid where the spin excitations are fractionalized into itinerant Majorana fermions and localized $\mathbb{Z}_2$ vortices. Quantum entanglement between the fractional excitations can be utilized for decoherence-free topological quantum computation. Of particular interest is the anyonic statistics realized by braiding the vortex excitations under a magnetic field. Despite the promising potential, the practical methodology for creation and control of the vortex excitations remains elusive thus far. Here we theoretically propose how one can create and move the vortices in the Kitaev spin liquid. We find that the vortices are induced by a local modulation of the exchange interaction; especially, the local Dzyaloshinskii-Moriya (symmetric off-diagonal) interaction can create vortices most efficiently in the (anti)ferromagnetic Kitaev model, as it effectively flips the sign of the Kitaev interaction. We test this idea by performing the {\it ab initio} calculation for a candidate material $\alpha$-RuCl$_3$ through the manipulation of the ligand positions that breaks the inversion symmetry and induces the local Dzyaloshinskii-Moriya interaction. We also demonstrate a braiding of vortices by adiabatically and successively changing the local bond modulations.
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Reply to Comment on "Magnetotransport signatures of a single nodal electron pocket constructed from Fermi arcs": In a recent manuscript, we showed how an electron pocket in the shape of a diamond with concave sides could potentially explain changes in sign of the Hall coefficient R_H in the underdoped high-Tc cuprates as a function of magnetic field and temperature. For simplicity, this Fermi surface is assumed to be constructed from arcs of a circle connected at vertices which is an idea borrowed from Banik and Overhauser. Such a diamond-shaped pocket is proposed to be the product of biaxial charge-density wave order, which was subsequently confirmed in x-ray scattering experiments. Since those x-ray scattering experiments were performed, the biaxial Fermi surface reconstruction scheme has garnered widespread support in the scientific literature. It has been shown to accurately account for the cross-section of the Fermi surface pocket observed in quantum oscillation measurements, the sign and behavior of the Hall coefficient, the size of the high magnetic field electronic contribution to the heat capacity and more recently the form of the angle-dependent magnetoresistance.In their comment, Chakravarty and Wang raise several important questions relating to the validity of the Hall coefficient we calculated for such a diamond-shaped Fermi surface pocket. These questions concern specifically (1) whether a change in sign of the Hall coefficient R_H with magnetic field and temperature is dependent on a `special' form for the rounding of the vertices, (2) whether a pocket of such a geometry can produce quantum oscillations in R_H in the absence of other Fermi surface sections and (3) whether a reconstructed Fermi surface consisting of a single pocket is less `natural' than one consisting of multiple pockets. Below we consider each of these in turn.
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Supersymmetric Approach to Heavy-Fermion Systems: We present a new supersymmetric approach to the Kondo lattice model in order to describe simultaneously the quasiparticle excitations and the low-energy magnetic fluctuations in heavy-Fermion systems. This approach mixes the fermionic and the bosonic representation of the spin following the standard rules of superalgebra. Our results show the formation of a bosonic band within the hybridization gap reflecting the spin collective modes. The density of states at the Fermi level is strongly renormalized while the Fermi surface sum rule includes $n_{c}+1$ states. The dynamical susceptibility is made of a Fermi liquid superimposed on a localized magnetism contribution.
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Electrically controllable magnetic order in the bilayer Hubbard model on honeycomb lattice --- a determinant quantum Monte Carlo study: Layered antiferromagnetic spin density wave (LAF) state is one of the plausible ground states of charge neutral Bernal stacked bilayer graphene. In this paper, we use determinant quantum Monte Carlo method to study the effect of the electric field on the magnetic order in bilayer Hubbard model on a honeycomb lattice. Our results qualitatively support the LAF ground state found in the mean field theory. The obtained magnetic moments, however, are much smaller than what are estimated in the mean field theory. As electric field increases, the magnetic order parameter rapidly decreases.
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Thermal stability and irreversibility of skyrmion-lattice phases in Cu$_2$OSeO$_3$: Small angle neutron scattering measurements have been performed to study the thermodynamic stability of skyrmion-lattice phases in Cu$_2$OSeO$_3$. We found that the two distinct skyrmion-lattice phases [SkX(1) and SkX(2) phases] can be stabilized through different thermal histories; by cooling from the paramagnetic phase under finite magnetic field, the SkX(2) phase is selected. On the other hand, the 30$^{\circ}$-rotated SkX(1) phase becomes dominant by heating the sample from the ordered conical phase under finite field. This difference in stabilization is surprisingly similar to the irreversibility observed in spin glasses. The zero-field cooling results in the co-existence of the two phases. It is further found that once one of the skyrmion-lattice phases is formed, it is hardly destabilized. This indicates unusual thermal stability of the two skyrmion-lattice phases originating from an unexpectedly large energy barrier between them.
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Disorder effects in spiral spin liquids: Long-range spin textures, Friedel-like oscillations, and spiral spin glasses: Spiral spin liquids are correlated states of matter in which a frustrated magnetic system evades order by fluctuating between a set of (nearly) degenerate spin spirals. Here, we investigate the response of spiral spin liquids to quenched disorder in a $J_1$-$J_2$ honeycomb-lattice Heisenberg model. At the single-impurity level, we identify different order-by-quenched-disorder phenomena and analyze the ensuing spin textures. In particular, we show that the latter generally display Friedel-like oscillations, which encode direct information about the spiral contour, i.e., the classical ground-state manifold. At finite defect concentrations, we perform extensive numerical simulations and characterize the resulting phases at zero temperature. As a result, we find that the competition between incompatible order-by-quenched-disorder mechanisms can lead to spiral spin glass states already at low to moderate disorder. Finally, we discuss extensions of our conclusions to nonzero temperatures and higher-dimensional systems, as well as their applications to experiments.
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The Composite Particle-Hole Spinor of the Lowest Landau Level: We propose to form a two-component effective field theory from L = (L_ce + L_ch)/2, where L_ce is the Lagrangian of composite electrons with a Chern-Simons term, and L_ch is the particle-hole conjugate of L_ce - the Lagrangian of composite holes. In the theory, the two-component fermion field phi is a composite particle-hole spinor coupled to an emergent effective gauge field in the presence of a background electromagnetic field. The Chern-Simons terms for both the composite electrons and composite holes are exactly cancelled out, and a 1/2 pseudospin degree of freedom, which responses to the emergent gauge field the same way as the real spin to the electromagnetic field, emerges automatically. Furthermore, the composite particle-hole spinor theory has exactly the same form as the non-relativistic limit of the massless Dirac composite fermion theory after expanded to the four-component form and with a mass term added.
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Phase transitions in chiral magnets from Monte Carlo simulations: Motivated by the unusual temperature dependence of the specific heat in MnSi, comprising a combination of a sharp first-order feature accompanied by a broad hump, we study the extended Heisenberg model with competing exchange $J$ and anisotropic Dzyaloshinskii-Moriya $D$ interactions in a broad range of ratio $D/J$. Utilizing classical Monte Carlo simulations we find an evolution of the temperature dependence of the specific heat and magnetic susceptibility with variation of $D/J$. Combined with an analysis of the Bragg intensity patterns, we clearly demonstrate that the observed puzzling hump in the specific heat of MnSi originates from smearing out of the virtual ferromagnetic second order phase transition by helical fluctuations, which manifest themselves in the transient multiple spiral state. These fluctuations finally condense into the helical ordered phase via a first order phase transition as is indicated by the specific heat peak. Thus the model demonstrates a crossover from a second-order to a first-order transition with increasing $D/J$. Upon further increasing $D/J$ another crossover from a first-order to a second-order transition takes place in the system. Moreover, the results of the calculations clearly indicate that these competing interactions are the primary factor responsible for the appearance of first order phase transitions in helical magnets with the Dzyaloshinskii-Moriya (DM) interaction.
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Magnetic structure determination of Ca$_3$LiOsO$_6$ using neutron and x-ray scattering: We present a neutron and x-ray scattering investigation of Ca$_3$LiOsO$_6$, a material predicted to host magnetic ordering solely through an extended superexchange pathway involving two anions, an interaction mechanism that has undergone relatively little investigation. This contrasts with the ubiquitous superexchange interaction mechanism involving a single anion that has well defined and long standing rules. Despite the apparent 1D nature and triangular units of magnetic osmium ions the onset of magnetic correlations has been observed at a high temperature of 117 K in bulk measurements. We experimentally determine the magnetically ordered structure and show it to be long range and three dimensional. Our results support the model of extended superexchange interaction.
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Spin polarons in the t-J model in an unconstrained representation: The report discusses the slave-fermion representations of the t-J model and describes another representation, in which fermions and bosons are completely commuting and in which the properties of fermions are directly related to the properties of physical holes. For a study of the system in the new representation at half-filling, interaction of fermions with two magnons is treated in mean-field theory. The obtained effective model, in comparison to that of the usual slave-fermion representation, has an additional bare hole dispersion due to the hole moving by using quantum spin fluctuations present in the undoped antiferromagnetic ground state. The single-hole Green's function at half-filling is then found numerically using the self-consistent Born approximation. For all studied quantities good or excellent agreement with numerical data is observed in the entire parameter range, noticeably better than in the studies with the slave-fermion representation. Using the same effective model, the two-hole problem is also studied by solving numerically the Bethe-Salpeter equation with noncrossing diagrams.
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DMRG Approach to Optimizing Two-Dimensional Tensor Networks: Tensor network algorithms have been remarkably successful solving a variety of problems in quantum many-body physics. However, algorithms to optimize two-dimensional tensor networks known as PEPS lack many of the aspects that make the seminal density matrix renormalization group (DMRG) algorithm so powerful for optimizing one-dimensional tensor networks known as matrix product states. We implement a framework for optimizing two-dimensional PEPS tensor networks which includes all of steps that make DMRG so successful for optimizing one-dimension tensor networks. We present results for several 2D spin models and discuss possible extensions and applications.
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Results on the symmetries of integrable fermionic models on chains: We investigate integrable fermionic models within the scheme of the graded Quantum Inverse Scattering Method, and prove that any symmetry imposed on the solution of the Yang-Baxter Equation reflects on the constants of motion of the model; generalizations with respect to known results are discussed. This theorem is shown to be very effective when combined with the Polynomial $\Rc$-matrix Technique (PRT): we apply both of them to the study of the extended Hubbard models, for which we find all the subcases enjoying several kinds of (super)symmetries. In particular, we derive a geometrical construction expressing any $gl(2,1)$-invariant model as a linear combination of EKS and U-supersymmetric models. Furtherly, we use the PRT to obtain 32 integrable $so(4)$-invariant models. By joint use of the Sutherland's Species technique and $\eta$-pairs construction we propose a general method to derive their physical features, and we provide some explicit results.
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Multiple supersonic phase fronts launched at a complex-oxide hetero-interface: Selective optical excitation of a substrate lattice can drive phase changes across hetero-interfaces. This phenomenon is a non-equilibrium analogue of static strain control in heterostructures and may lead to new applications in optically controlled phase change devices. Here, we make use of time-resolved non-resonant and resonant x-ray diffraction to clarify the underlying physics, and to separate different microscopic degrees of freedom in space and time. We measure the dynamics of the lattice and that of the charge disproportionation in NdNiO3, when an insulator-metal transition is driven by coherent lattice distortions in the LaAlO3 substrate. We find that charge redistribution propagates at supersonic speeds from the interface into the NdNiO3 film, followed by a sonic lattice wave. When combined with measurements of magnetic disordering and of the metal-insulator transition, these results establish a hierarchy of events for ultrafast control at complex oxide hetero-interfaces.
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Monte Carlo modeling the phase diagram of magnets with the Dzyaloshinskii - Moriya interaction: We use classical Monte Carlo calculations to model the high-pressure behavior of the phase transition in the helical magnets. We vary values of the exchange interaction constant J and the Dzyaloshinskii-Moriya interaction constant D, which is equivalent to changing spin-spin distances, as occurs in real systems under pressure. The system under study is self-similar at D/ J = constant, and its properties are defined by the single variable J / T , where T is temperature. The existence of the first order phase transition critically depends on the ratio D / J. A variation of J strongly affects the phase transition temperature and width of the fluctuation region (the hump) as follows from the system self-similarity. The high-pressure behavior of the spin system depends on the evolution of the interaction constants J and D on compression. Our calculations are relevant to the high pressure phase diagrams of helical magnets MnSi and Cu2OSeO3.
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Fermionic Monte Carlo study of a realistic model of twisted bilayer graphene: The rich phenomenology of twisted bilayer graphene (TBG) near the magic angle is believed to arise from electron correlations in topological flat bands. An unbiased approach to this problem is highly desirable, but also particularly challenging, given the multiple electron flavors, the topological obstruction to defining tight binding models and the long-ranged Coulomb interactions. While numerical simulations of realistic models have thus far been confined to zero temperature, typically excluding some spin or valley species, analytic progress has relied on fixed point models away from the realistic limit. Here we present for the first time unbiased Monte Carlo simulations of realistic models of magic angle TBG at charge-neutrality. We establish the absence of a sign problem for this model in a momentum space approach, and describe a computationally tractable formulation that applies even on breaking chiral symmetry and including band dispersion. Our results include (i) the emergence of an insulating Kramers inter-valley coherent ground state in competition with a correlated semi-metal phase, (ii) detailed temperature evolution of order parameters and electronic spectral functions which reveal a `pseudogap' regime, in which gap features are established at a higher temperature than the onset of order and (iii) predictions for electronic tunneling spectra and their evolution with temperature. Our results pave the way towards uncovering the physics of magic angle graphene through exact simulations of over a hundred electrons across a wide temperature range.
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Inelastic neutron scattering studies of the quantum frustrated magnet clinoatacamite, $γ$-Cu2(OD)3Cl, a proposed valence bond solid (VBS): The frustrated magnet clinoatacamite, $\gamma$-Cu$_2$(OH)$_3$Cl, is attracting a lot of interest after suggestions that at low temperature it forms an exotic quantum state termed a Valence Bond Solid (VBS) made from dimerised Cu$^{2+}$ ($S=1/2$) spins.\cite{Lee_clinoatacamite} Key to the arguments surrounding this proposal were suggestions that the kagom\'e planes in the magnetic pyrochlore lattice of clinoatacamite are only weakly coupled, causing the system to behave as a quasi-2-dimensional magnet. This was reasoned from the near 95$^\circ$ angles made at the bridging oxygens that mediate exchange between the Cu ions that link the kagom\'e planes. Recent work pointed out that this exchange model is inappropriate for $\gamma$-Cu$_2$(OH)$_3$Cl, where the oxygen is present as a $\mu_3$-OH.\cite{Wills_JPC} Further, it used symmetry calculations and neutron powder diffraction to show that the low temperature magnetic structure ($T<6$ K) was canted and involved significant spin ordering on all the Cu$^{2+}$ spins, which is incompatible with the interpretation of simultaneous VBS and N\'eel ordering. Correspondingly, clinoatacamite is best considered a distorted pyrochlore magnet. In this report we show detailed inelastic neutron scattering spectra and revisit the responses of this frustrated quantum magnet.
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Modified kagome physics in the natural spin-1/2 kagome lattice systems - kapellasite Cu3Zn(OH)6Cl2 and haydeeite Cu3Mg(OH)6Cl2: The recently discovered natural minerals Cu3Zn(OH)6Cl2 and Cu3Mg(OH)6Cl2 are spin 1/2 systems with an ideal kagome geometry. Based on electronic structure calculations, we develop a realistic model which includes couplings across the kagome hexagons beyond the original kagome model that are intrinsic in real kagome materials. Exact diagonalization studies for the derived model reveal a strong impact of these couplings on the magnetic ground state. Our predictions could be compared to and supplied with neutron scattering, thermodynamic and NMR data.
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Freezing out of a low-energy bulk spin exciton in SmB6: The Kondo insulator SmB6 is purported to develop into a robust topological insulator at low temperature. Yet there are several puzzling and unexplained physical properties of the insulating bulk. It has been proposed that bulk spin excitons may be the source of these anomalies and may also adversely affect the topologically-protected metallic surface states. Here, we report muon spin rotation measurements of SmB6 that show thermally-activated behavior for the temperature dependences of the transverse-field (TF) relaxation rate below 20 K and muon Knight shift below 5-6 K. Our data are consistent with the freezing out of a bulk low-energy (~ 1 meV) spin exciton concurrent with the appearance of metallic surface conductivity. Furthermore, our results support the idea that spin excitons play some role in the anomalous low-temperature bulk properties of SmB6.
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Rigorous Wilsonian Renormalization Group for impurity models with a spectral gap: The Anderson impurity model (AIM) has long served as a cornerstone in the study of correlated electron systems. While numerical renormalization group (RG) offers great flexibility for metallic reservoirs, it becomes impossible in an unbiased way when a spectral gap $\Delta$ opens up in the tunneling density of states. The only known exception is provided by the superconducting bath. In this paper, we lift these limitations by a novel numerical RG procedure that employs a discretization of the gapped tunneling densities of states into patches which accumulate at the gap edges. This reveals an unusual double scaling which is a shared behavior by the superconducting and the scalar gapped AIMs. Moreover, it requires a special iterative diagonalization procedure with an alternating scheme for discarding states only every second iteration. The discretization and the diagonalization scheme form together, what we refer to as, the log-gap numerical RG. It is successfully applied to the superconducting and to the scalar gapped AIM. Consequently, it reveals that both models belong to the same RG equivalence class which manifests physically in common singlet-doublet quantum phase transitions accompanied by in-gap bound states of given parities. While superconducting AIM is mainly used for benchmarking of the log-gap numerical RG, we also rigorously confirm the phenomenon of in-gap states escaping into the continuum, which was recently indirectly considered in Ref. [1]. The gapped AIM is then tackled in a first ever exact numerical RG approach and confirms quantitatively assertions based on models with auxiliary metallic leads [2-5]. Moreover, it reveals that calculations performed in Refs. [6-8] are of strictly approximate nature.
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Quantization of fractional corner charge in $C_n$-symmetric higher-order topological crystalline insulators: In the presence of crystalline symmetries, certain topological insulators present a filling anomaly: a mismatch between the number of electrons in an energy band and the number of electrons required for charge neutrality. In this paper, we show that a filling anomaly can arise when corners are introduced in $C_n$-symmetric crystalline insulators with vanishing polarization, having as consequence the existence of corner-localized charges quantized in multiples of $\frac{e}{n}$. We characterize the existence of this charge systematically and build topological indices that relate the symmetry representations of the occupied energy bands of a crystal to the quanta of fractional charge robustly localized at its corners. When an additional chiral symmetry is present, $\frac{e}{2}$ corner charges are accompanied by zero-energy corner-localized states. We show the application of our indices in a number of atomic and fragile topological insulators and discuss the role of fractional charges bound to disclinations as bulk probes for these crystalline phases.
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Unconventional density wave in CeCoIn_5?: Very recently large Nernst effect and Seebeck effect were observed above the superconducting transition temperature 2.3K in a heavy fermion superconductor CeCoIn_5. We shall interpret this large Nernst effect in terms of unconventional density wave (UDW), which appears around T=18K. Also the temperature dependence of the Seebeck coefficient below T=18K is described in terms of UDW. Another hallmark for UDW is the angular dependent magnetoresistance, which should be readily accessible experimentally.
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Magnetic-Field-Independent Ultrasonic Dispersions in the Magnetically Robust Heavy Fermion System SmOs4Sb12: Elastic properties of the filled skutterudite compound SmOs$_4$Sb$_{12}$ have been investigated by ultrasonic measurements. The elastic constant $C_{11}(\omega)$ shows two ultrasonic dispersions at $\sim$15 K and $\sim$53 K for frequencies $\omega$ between 33 and 316 MHz, which follow a Debye-type formula with Arrhenius-type temperature-dependent relaxation times, and remain unchanged even with applied magnetic fields up to 10 T. The corresponding activation energies were estimated to be $E_2$ = 105 K and $E_1$ = 409 K, respectively. The latter, $E_1$, is the highest value reported so far in the Sb-based filled skutterudites. The presence of magnetically robust ultrasonic dispersions in SmOs$_4$Sb$_{12}$ implies a possibility that an emergence of a magnetically insensitive heavy fermion state in this system is associated with a novel local charge degree of freedom which causes the ultrasonic dispersion.
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Dynamical spin susceptibility in La2CuO4 studied by resonant inelastic x-ray scattering: Resonant inelastic X-ray scattering (RIXS) is a powerful probe of elementary excitations in solids. It is now widely applied to study magnetic excitations. However, its complex cross-section means that RIXS has been more difficult to interpret than inelastic neutron scattering (INS). Here we report high-resolution RIXS measurements of magnetic excitations of La2CuO4, the antiferromagnetic parent of one system of high-temperature superconductors. At high energies (~2 eV), the RIXS spectra show angular-dependent dd orbital excitations which are found to be in good agreement with single-site multiplet calculations. At lower energies (<0.3 eV), we show that the wavevector-dependent RIXS intensities are proportional to the product of the single-ion spin-flip cross section and the dynamical susceptibility of the spin-wave excitations. When the spin-flip crosssection is dividing out, the RIXS magnon intensities show a remarkable resemblance to INS data. Our results show that RIXS is a quantitative probe the dynamical spin susceptibility in cuprate and therefore should be used for quantitative investigation of other correlated electron materials.
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Contiguous 3d and 4f magnetism: towards strongly correlated 3d electrons in YbFe2Al10: We present magnetization, specific heat, and 27Al NMR investigations on YbFe2Al10 over a wide range in temperature and magnetic field. The magnetic susceptibility at low temperatures is strongly enhanced at weak magnetic fields, accompanied by a ln(T0/T) divergence of the low-T specific heat coefficient in zero field, which indicates a ground state of correlated electrons. From our hard X-ray photo emission spectroscopy (HAXPES) study, the Yb valence at 50 K is evaluated to be 2.38. The system displays valence fluctuating behavior in the low to intermediate temperature range, whereas above 400 K, Yb3+ carries a full and stable moment, and Fe carries a moment of about 3.1 mB. The enhanced value of the Sommerfeld Wilson ratio and the dynamic scaling of spin-lattice relaxation rate divided by T [27(1/T1T)] with static susceptibility suggests admixed ferromagnetic correlations. 27(1/T1T) simultaneously tracks the valence fluctuations from the 4f -Yb ions in the high temperature range and field dependent antiferromagnetic correlations among partially Kondo screened Fe 3d moments at low temperature, the latter evolve out of an Yb 4f admixed conduction band.
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Dynamics of a bond-disordered $S=1$ quantum magnet near $z=1$ criticality: Neutron scattering is used to study NiCl$_{2-2x}$Br$_{2x}\cdot$4SC(NH$_2$)$_2$, $x=0.06$, a bond-disordered modification of the well-known gapped $S=1$ antiferromagnetic quantum spin system NiCl$_{2}\cdot$4SC(NH$_2$)$_2$. The magnetic excitation spectrum throughout Brillouin zone is mapped out at $T=60$ mK using high-resolution time-of-flight spectroscopy. It is found that the dispersion of spin excitation is renormalized, as compared to that in the parent compound. The lifetime of excitations near the bottom of the band is substantially decreased. No localized states are found below the gap energy $\Delta\simeq0.2$ meV. At the same time, localized zero wave vector states are detected above the top of the band. The results are consistent with a more or less continuous random distribution of bond strengths, and a discrete, possibly bimodal, distribution of single-ion anisotropies in the disordered material.
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Competing Correlated Insulators in multi-orbital systems coupled to phonons: We study the interplay between electron-electron interaction and a Jahn-Teller phonon coupling in a two-orbital Hubbard model. We demonstrate that the e-ph interaction coexists with the Mott localization driven by the Hubbard repulsion U, but it competes with the Hund's coupling J. This interplay leads to two spectacularly different Mott insulators, a standard high-spin Mott insulator with frozen phonons which is stable when the Hund's coupling prevails, and a low-spin Mott-bipolaronic insulator favoured by phonons, where the characteristic features of Mott insulators and bipolarons coexist. The two phases are separated by a sharp boundary along which an intriguing intermediate solution emerges as a kind of compromise between the two solutions.
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Orbital Disordering and metal-insulator transition with hole-doping in perovskite-type vanadium oxides: Filling-control metal-insulator transitions (MITs) and related electronic phase diagrams have been investigated for hole-doped vanadium oxides, Pr_{1-x}Ca_xVO_3, Nd_{1-x}Sr_xVO_3 and Y_{1-x}Ca_xVO_3, with perovskite structure. The increase of the doping level x causes the melting of the G-type (and C-type) orbital order, prior to or concomitantly with the MIT, due partly to the doped-hole motion and partly to the ramdom potential arising from the quenched disorder. In particular, the G-type spin- and C-type orbital-ordered phase present in Y_{1-x}Ca_xVO_3 disappears immediately upon hole doping, around x=0.02. On the other hand, the critical doping level x for MIT is governed by the electron-correlation strength of the undoped parent compound.
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Quantum criticality and the formation of a putative electronic liquid crystal in Sr3Ru2O7: We present a brief review of the physical properties of Sr3Ru2O7, in which the approach to a magnetic-field-tuned quantum critical point is cut off by the formation of a novel phase with transport characteristics consistent with those of a nematic electronic liquid crystal. Our goal is to summarize the physics that led to that conclusion being drawn, describing the key experiments and discussing the theoretical approaches that have been adopted. Throughout the review we also attempt to highlight observations that are not yet understood, and to discuss the future challenges that will need to be addressed by both experiment and theory.
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Gapless edges of 2d topological orders and enriched monoidal categories: In this work, we give a precise mathematical description of a fully chiral gapless edge of a 2d topological order (without symmetry). We show that the observables on the 1+1D world sheet of such an edge consist of a family of topological edge excitations, boundary CFT's and walls between boundary CFT's. These observables can be described by a chiral algebra and an enriched monoidal category. This mathematical description automatically includes that of gapped edges as special cases. Therefore, it gives a unified framework to study both gapped and gapless edges. Moreover, the boundary-bulk duality also holds for gapless edges. More precisely, the unitary modular tensor category that describes the 2d bulk phase is exactly the Drinfeld center of the enriched monoidal category that describes the gapless/gapped edge. We propose a classification of all gapped and fully chiral gapless edges of a given bulk phase. In the end, we explain how modular-invariant bulk conformal field theories naturally emerge on certain gapless walls between two trivial phases.
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An anomalous butterfly-shaped magnetoresistance loop in an alloy, Tb4LuSi3: Magnetic-field (H) induced first-order magnetic transition and the assiciated electronic phase-separation phenomena are active topics of research in magnetism. Magnetoresistance (MR) is a key property to probe these phenomena and, in literature, a butterfly-shaped MR loop has been noted while cycling the field, with the envelope curve lying below the virgin curve in MR versus H plots of such materials. Here, we report an opposite behavior of MR loop for an alloy, Tb4LuSi3, at low temperatures (<<20 K) in the magnetically ordered state. Such an anomalous curve reveals unexpected domination of higher resistive high-field phase in electronic conduction, unlike in other materials where conducion is naturally by low-resistive high-field phase that follows first-order transition. The observed features reveal an unusual electronic phase separation, namely involving high-resistive high-field phase and low-resistive virgin phase.
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Spin-fluctuation mechanism of superconductivity in cuprates: The theory of superconductivity within the t-J model, as relevant for cuprates, is developed. It is based on the equations of motion for projected fermionic operators and the mode-coupling approximation for the self-energy matrix. The dynamical spin susceptibility at various doping is considered as an input, extracted from experiments. The analysis shows that the superconductivity onset is dominated by the spin-fluctuation contribution. We show that T_c is limited by the spin-fluctuation scale $\Gamma$ and shows a pronounced dependence on the next-nearest-neighbor hopping t'. The latter can offer an explanation for the variation of T_c among different families of cuprates.
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Quantum and thermal effects in the double exchange ferromagnet: The physics of the ferromagnetic phase of the ``double exchange'' model has been widely discussed in the context of the CMR manganites. Usually, the double exchange ferromagnet is treated is classically, by mapping it onto an effective Heisenberg model. However this mapping does not permit a correct treatment of quantum or thermal fluctuation effects, and the results obtained lack many of the interesting features seen in experiments on the manganites. Here we outline a new analytic approach to systematically evaluating quantum and thermal corrections to the magnetic and electronic properties of the double exchange ferromagnet.
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Interacting Anisotropic Dirac Fermions in Strained Graphene and Related Systems: We study the role of long-range electron-electron interactions in a system of two-dimensional anisotropic Dirac fermions, which naturally appear in uniaxially strained graphene, graphene in external potentials, some strongly anisotropic topological insulators, and engineered anisotropic graphene structures. We find that while for small interactions and anisotropy the system restores the conventional isotropic Dirac liquid behavior, strong enough anisotropy can lead to the formation of a quasi-one dimensional electronic phase with dominant charge order (anisotropic excitonic insulator).
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Elastic Properties and Magnetic Phase Diagrams of Dense Kondo Compound Ce0.75La0.25B6: We have investigated the elastic properties of the cubic dense Kondo compound Ce0.75La0.25B6 by means of ultrasonic measurements. We have obtained magnetic fields vs temperatures (H-T) phase diagrams under magnetic fields along the crystallographic [001], [110] and [111] axes. An ordered phase IV showing the elastic softening of c44 locates in low temperature region between 1.6 and 1.1 K below 0.7 T in all field directions. The phase IV shows an isotropic nature with regard to the field directions, while the antiferro-magnetic phase III shows an anisotropic character. A remarkable softening of c44 and a spontaneous trigonal distortion &#949;yz+&#949;zx+&#949;xy recently reported by Akatsu et al. [J. Phys. Soc. Jpn. 72 (2003) 205] in the phase IV favor a ferro-quadrupole (FQ) moment of Oyz+Ozx+Oxy induced by an octupole ordering.
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Magnetism and fine electronic structure of UPd2Al3 and NpPd2Al3: We claim the existence of the f3 (U3+) configuration in UPd2Al3. It is in agreement with inelastic-neutron-scattering (INS) excitations and is consistent with the trivalent neptunium configuration in NpPd2Al3. We have derived set of CEF parameters for the U3+ state that reproduces the INS excitations and temperature dependence of the heat capacity. On basis of the crystal-field theory, extended to Quantum Atomistic Solid State Theory we argue that the magnetic moment of the uranium moment amounts at 0 K to 1.7-1.8 muB. Keywords: Crystalline Electric Field, Heavy fermion magnetism, UPd2Al3, NpPd2Al3 PACS: 71.70.E, 75.10.D
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Temperature-dependent $f$-electron evolution in CeCoIn$_5$ via a comparative infrared study with LaCoIn$_5$: We investigated CeCoIn$_5$ and LaCoIn$_5$ single crystals, which have the same HoCoGa$_5$-type tetragonal crystal structure, using infrared spectroscopy. However, while CeCoIn$_5$ has 4$f$ electrons, LaCoIn$_5$ does not. By comparing these two material systems, we extracted the temperature-dependent electronic evolution of the $f$ electrons of CeCoIn$_5$. We observed that the differences caused by the $f$ electrons are more obvious in low-energy optical spectra at low temperatures. We introduced a complex optical resistivity and obtained a magnetic optical resistivity from the difference in the optical resistivity spectra of the two material systems. From the temperature-dependent average magnetic resistivity, we found that the onset temperature of the Kondo effect is much higher than the known onset temperature of Kondo scattering ($\simeq$ 200 K) of CeCoIn$_5$. Based on momentum-dependent hybridization, the periodic Anderson model, and a maximum entropy approach, we obtained the hybridization gap distribution function of CeCoIn$_5$ and found that the resulting gap distribution function of CeCoIn$_5$ was mainly composed of two (small and large) components (or gaps). We assigned the small and large gaps to the in-plane and out-of-plane hybridization gaps, respectively. We expect that our results will provide useful information for understanding the temperature-dependent electronic evolution of $f$-electron systems near Fermi level.
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Vortices in the presence of a nonmagnetic atom impurity in 2D XY ferromagnets: Using a model of nonmagnetic impurity potential, we have examined the behavior of planar vortex solutions in the classical two-dimensional XY ferromagnets in the presence of a spin vacancy localized out of the vortex core. Our results show that a spinless atom impurity gives rise to an effective potential that repels the vortex structure.
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Antiferromagnetic spin-1/2 chains in (NO)Cu(NO3)3: a microscopic study: We report on the microscopic model of the recently synthesized one-dimensional quantum magnet (NO)Cu(NO3)3. Applying density functional theory band structure calculations, we obtain a leading antiferromagnetic exchange coupling J ~ 200 K, which runs via NO3 groups forming spin chains along the b direction. Much weaker couplings J' ~ 2 K link the chains into layers in a non-frustrated manner. Our calculations do not support the earlier conjecture on an anisotropic frustrated square lattice physics in (NO)Cu(NO3)3. In contrast, the model of uniform spin chains leads to a remarkably good fit of the experimental magnetic susceptibility data, although the low-temperature features of the intrinsic magnetic susceptibility measured by electron spin resonance might call for extension of the model. We outline possible experiments to observe the suggested long-range magnetic ordering in (NO)Cu(NO3)3 and briefly compare this compound to other spin-1/2 uniform-chain systems.
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Anisotropic pseudogap in the half-filling 2-d Hubbard model at finite T: We have studied the pseudogap formation in the single-particle spectra of the half-filling two-dimensional Hubbard model. Using a Green's function with the one-loop self-energy correction of the spin and charge fluctuations, we have numerically calculated the self-energy, the spectral function, and the density of states in the weak-coupling regime at finite temperature. Pseudogap formations have been observed in both the density of states and the spectral function at the Fermi level. The pseudogap in the spectral function is explained by the non-Fermi-liquid-like nature of the self-energy. The anomalous behavior in the self-energy is caused by both the strong antiferromagnetic spin fluctuation and the nesting condition on the non-interacting Fermi surface. In the present approximation, we find a logarithmic singularity in the integrand of the imaginary part of the self-energy. Concerning the energy dependence of the spectral function and the self-energy, two theorems are proved. They give a necessary condition in the self-energy to produce the pseudogap at the Fermi level. The pseudogap in the spectral function is highly momentum dependent on the Fermi surface. It opens initially in the $(\pm \pi,0)$, $(0,\pm \pi)$ regions as the normal state pseudogap observed in the high-$T_c$ superconductors and if the interaction is increased, it spreads to other Fermi surface sectors. The anisotropy of the pseudogap is produced by the low-energy enhancement of the spin excitation around ${\bf Q}=(\pi,\pi)$ and the flatness of the band dispersion around the saddle point.
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Fermionic superfluidity: From high Tc superconductors to ultracold Fermi gases: We present a pairing fluctuation theory which self-consistently incorporates finite momentum pair excitations in the context of BCS--Bose-Einstein condensation (BEC) crossover, and we apply this theory to high $T_c$ superconductors and ultracold Fermi gases. There are strong similarities between Fermi gases in the unitary regime and high Tc superconductors. Here we address key issues of common interest, especially the pseudogap. In the Fermi gases we summarize recent experiments including various phase diagrams (with and without population imbalance), as well as evidence for a pseudogap in thermodynamic and other experiments.
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Renormalized perturbation calculations for the single impurity Anderson model: We illustrate the renormalized perturbation expansion method by applying it to a single impurity Anderson model. Previously, we have shown that this approach gives the {\it exact} leading order results for the specific heat, spin and charge susceptibilities and leading order temperature dependence of the resistivity for this model in the Fermi-liquid regime, when carried out to second order in the renormalized interaction $\tilde U$. Here we consider the effects of higher order quasi-particle scattering and calculate the third order contributions to the $H^3$ term in the impurity magnetization for the symmetric model in a weak magnetic field $H$. The result is asymptotically exact in the weak coupling regime, and is very close to the exact Bethe ansatz result in the Kondo regime. We also calculate the quasi-particle density of states in a magnetic field, which is of interest in relation to recent experimental work on quantum dots.
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Phonon-induced disorder in dynamics of optically pumped metals from non-linear electron-phonon coupling: The non-equilibrium dynamics of matter excited by light may produce electronic phases that do not exist in equilibrium, such as laser-induced high-transition-temperature superconductivity. Here we simulate the dynamics of a metal driven at initial time $t=0$ by a spatially uniform pump that excites dipole-active vibrational modes which couple quadratically to electrons. We study in detail the evolution of electronic and vibrational observables and their coherences. We provide evidence for enhancement of local electronic correlations, including double occupancy, accompanied by rapid loss of spatial structure, which we interpret as a signature of emergent effective disorder in the dynamics. This effective disorder, which arises in absence of quenched randomness, dominates the electronic dynamics as the system evolves towards a correlated electron-phonon long-time state, possibly explaining why transient superconductivity is not observed. The pumped electron-phonon systems studied here, which are governed by non-linear coupling, exhibit a much more substantial dynamical response than linearly coupled models relevant in equilibrium, thus presenting a pathway to new modalities for out-of-equilibrium phases. Our results provide a basis within which to understand correlation dynamics in current pump-probe experiments of vibrationally coupled electrons, highlight the importance of the evolution of phase coherence, and demonstrate that pumped electron-phonon systems provide a means of approximately realizing recently proposed scenarios of dynamically induced disorder in translation-invariant systems.
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Complex pressure-temperature structural phase diagram of honeycomb iridate Cu$_2$IrO$_3$: $\mathrm{Cu_2IrO_3}$ is among the newest layered honeycomb iridates and a promising candidate to harbor a Kitaev quantum spin liquid state. Here, we investigate the pressure and temperature dependence of its structure through a combination of powder x-ray diffraction and x-ray absorption fine structure measurements, as well as $ab$-$initio$ evolutionary structure search. At ambient pressure, we revise the previously proposed $C2/c$ solution with a related but notably more stable $P2_1/c$ structure. Pressures below 8 GPa drive the formation of Ir-Ir dimers at both ambient and low temperatures, similar to the case of $\mathrm{Li_2IrO_3}$. At higher pressures, the structural evolution dramatically depends on temperature. A large discontinuous reduction of the Ir honeycomb interplanar distance is observed around 15 GPa at room temperature, likely driven by a collapse of the O-Cu-O dumbbells. At 15 K, pressures beyond 20 GPa first lead to an intermediate phase featuring a continuous reduction of the interplanar distance, which then collapses at 30 GPa across yet another phase transition. However, the resulting structure around 40 GPa is not the same at room and low temperatures. Remarkably, the reduction in interplanar distance leads to an apparent healing of the stacking faults at room temperature, but not at 15 K. Possible implications on the evolution of electronic structure of $\mathrm{Cu_2IrO_3}$ with pressure are discussed.
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Magnetic transition and spin fluctuations in the unconventional antiferromagnetic compound Yb3Pt4: Muon spin rotation and relaxation measurements have been carried out on the unconventional antiferromagnet Yb_3Pt_4. Oscillations are observed below T_N = 2.22(1) K, consistent with the antiferromagnetic (AFM) Neel temperature observed in bulk experiments. In agreement with neutron diffraction experiments the oscillation frequency omega_ mu(T) follows a S = 1/2 mean-field temperature dependence, yielding a quasistatic local field 1.71(2) kOe at T = 0. A crude estimate gives an ordered moment of ~0.66 mu_B at T = 0, comparable to 0.81 mu_B from neutron diffraction. As T approaches T_N from above the dynamic relaxation rate lambda_d exhibits no critical slowing down, consistent with a mean-field transition. In the AFM phase a T-linear fit to lambda_d(T), appropriate to a Fermi liquid, yields highly enhanced values of lambda_d/T and the Korringa constant K_ mu^2 T/lambda_d, with K_ mu the estimated muon Knight shift. A strong suppression of lambda_d by applied field is observed in the AFM phase. These properties are consistent with the observed large Sommerfeld-Wilson and Kadowaki-Woods ratios in Yb_3Pt_4 (although the data do not discriminate between Fermi-liquid and non-Fermi-liquid states), and suggest strong enhancement of q ~ 0 spin correlations between large-Fermi-volume band quasiparticles in the AFM phase of Yb_3Pt_4.
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Quantum kagome antiferromagnet: ZnCu3(OH)6Cl2: Herbertsmithite, ZnCu3(OH)6Cl2, is the prototype candidate for a spin liquid behavior on a geometrically perfect kagome lattice. Its discovery and the absence of any evidence for spin-freezing down to the lowest probed temperature to-date enable one to explore the properties of kagome-related physics in an unprecedented temperature range. We review its properties and discuss some open issues. A tentative comparison to models is also performed.
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Construction of Localized Basis for Dynamical Mean Field Theory: Many-body Hamiltonians obtained from first principles generally include all possible non-local interactions. But in dynamical mean field theory the non-local interactions are ignored, and only the effects of the local interactions are taken into account. The truncation of the non-local interactions is a basis dependent approximation. We propose a criterion to construct an appropriate localized basis in which the truncation can be carried out. This involves finding a basis in which a functional given by the sum of the squares of the local interactions with appropriate weight factors is maximized under unitary transformations of basis. We argue that such a localized basis is suitable for the application of dynamical mean field theory for calculating material properties from first principles. We propose an algorithm which can be used for constructing the localized basis. We test our criterion on a toy model and find it satisfactory.
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Structural and dynamical study of moment localization in beta-Mn(1-x)In(x): We have used neutron scattering and muon spin relaxation (muSR) to investigate the structural and magnetic properties of the beta-phase of elemental manganese doped with dilute amounts of indium. beta-Mn is an example of a topologically frustrated antiferromagnetically correlated metal - but which remains paramagnetic at all temperatures. The addition of In to beta-Mn results in a vast volume expansion of the lattice, and would therefore be expected to have a major effect on the stability and localization of the Mn moment - as observed in, for example, Ru and Al doped beta-Mn alloys. We find that In doping in beta-Mn results in a short-range ordered spin-glass like ground state, similar to that of Al-doped beta-Mn but with residual low frequency spin fluctuations. This is in contrast to Ru doping which results in the stabilization of a long-range ordered Mn moment
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Terahertz parametric amplification as a reporter of exciton condensate dynamics: Condensates are a hallmark of emergence in quantum materials with superconductors and charge density wave as prominent examples. An excitonic insulator (EI) is an intriguing addition to this library, exhibiting spontaneous condensation of electron-hole pairs. However, condensate observables can be obscured through parasitic coupling to the lattice. Time-resolved terahertz (THz) spectroscopy can disentangle such obscurants through measurement of the quantum dynamics. We target $Ta_{2}NiSe_{5}$, a putative room-temperature EI where electron-lattice coupling dominates the structural transition ($T_{c}$=326 K), hindering identification of excitonic correlations. A pronounced increase in the THz reflectivity manifests following photoexcitation and exhibits a BEC-like temperature dependence. This occurs well below the $T_{c}$, suggesting a novel approach to monitor exciton condensate dynamics. Nonetheless, dynamic condensate-phonon coupling remains as evidenced by peaks in the enhanced reflectivity spectrum at select infrared-active phonon frequencies. This indicates that parametric reflectivity enhancement arises from phonon squeezing, validated using Fresnel-Floquet theory and density functional calculations. Our results highlight that coherent dynamics can drive parametric stimulated emission with concomitant possibilities, including entangled THz photon generation.
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Scaling of THz-conductivity at metal-insulator transition in doped manganites: Magnetic field and temperature dependence of the Terahertz conductivity and permittivity of the colossal magnetoresistance manganite Pr_{0.65}Ca_{0.28}Sr_{0.07}MnO_3 (PCSMO) is investigated approaching the metal-to-insulator transition (MIT) from the insulating side. In the charge-ordered state of PCSMO both conductivity and dielectric permittivity increase as function of magnetic field and temperature. Universal scaling relationships between the changes in permittivity and conductivity are observed in a broad range of temperatures and magnetic fields. Similar scaling is also seen in La_{1-x}Sr_xMnO_3 for different doping levels. The observed proportionality points towards the importance of pure ac-conductivity and phononic energy scale at MIT in manganites.
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Ground-state selection and spin-liquid behaviour in the classical Heisenberg model on the breathing pyrochlore lattice: Magnetic pyrochlore oxides, including the spin ice materials, have proved to be a rich field for the study of geometrical frustration in 3 dimensions. Recently, a new family of magnetic oxides has been synthesised in which the half of the tetrahedra in the pyrochlore lattice are inflated relative to the other half, making an alternating array of small and large tetrahedra. These "breathing pyrochlore" materials such as LiGaCr4O8, LiInCr4O8 and Ba3Yb2Zn5O11 provide new opportunities in the study of frustrated magnetism. Here we provide an analytic theory for the ground state phase diagram and spin correlations for the minimal model of magnetism in breathing pyrochlores: a classical nearest neighbour Heisenberg model with different exchange coefficients for the two species of tetrahedra. We find that the phase diagram comprises a Coulombic spin liquid phase, a conventional ferromagnetic phase and an unusual antiferromagnetic phase with lines of soft modes in reciprocal space, stabilised by an order-by-disorder mechanism. We obtain a theory of the spin correlations in this model using the Self Consistent Gaussian Approximation (SCGA) which enables us to discuss the development of correlations in breathing pyrochlores as a function of temperature, and we quantitatively characterise the thermal crossover from the limit of isolated tetrahedra to the strongly correlated limit of the problem. We compare the results of our analysis with the results of recent neutron scattering experiments on LiInCr4O8.
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My Random Walks in Anderson's Garden: Anderson's Garden is a drawing presented to Philip W. Anderson on the eve of his 60th birthday celebration, in 1983. This cartoon (Fig. 1), whose author is unknown, succinctly depicts some of Anderson's pre-1983 works, as a blooming garden. As an avid reader of Anderson's papers, random walk in Anderson's garden had become a part of my routine since graduate school days. This was of immense help and prepared me for a wonderful collaboration with the gardener himself, on the resonating valence bond (RVB) theory of High Tc cuprates and quantum spin liquids, at Princeton. The result was bountiful - the first (RVB mean field) theory for i) quantum spin liquids, ii) emergent fermi surfaces in Mott insulators and iii) superconductivity in doped Mott insulators. Beyond mean field theory - i) emergent gauge fields, ii) Ginzbuerg Landau theory with RVB gauge fields, iii) prediction of superconducting dome, iv) an early identification and study of a non-fermi liquid normal state of cuprates and so on. Here I narrate this story, years of my gardening attempts and end with a brief summary of my theoretical efforts to extend RVB theory of superconductivity to encompass the recently observed very high Tc ~ 203 K superconductivity in molecular solid H2S at high pressures ~ 200 GPa.
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Magnetic-field induced triplet superconductivity in the Hubbard model on a triangular lattice: We propose theoretically that a magnetic field can realize spin-triplet superconductivity in repulsively interacting electron systems having strong ferromagnetic spin fluctuations. We confirm the general idea for the low-density Hubbard model on a triangular lattice, whose Fermi surface consists of disconnected pieces, by calculating the pairing susceptibility in a moderate magnetic field with the quantum Monte-Carlo method combined with the dynamical cluster approximation.
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Phonon Thermal Transport of URu2Si2: Broken Translational Symmetry and Strong-Coupling of the Hidden Order to the Lattice: A dramatic increase in the total thermal conductivity (k) is observed in the Hidden Order (HO) state of single crystal URu2Si2. Through measurements of the thermal Hall conductivity, we explicitly show that the electronic contribution to k is extremely small, so that this large increase in k is dominated by phonon conduction. An itinerant BCS/mean-field model describes this behavior well: the increase in kappa is associated with the opening of a large energy gap at the Fermi Surface, thereby decreasing electron-phonon scattering. Our analysis implies that the Hidden Order parameter is strongly coupled to the lattice, suggestive of a broken symmetry involving charge degrees of freedom.
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Charge Stripe in an Antiferromagnet: 1d Band of Composite Excitations: With the help of analytical and numerical studies of the $t$-$J_z$ model we argue that the charge stripe in an antiferromagnetic insulator should be understood as a system of holon-spin-polaron excitations condensed at the self-induced antiphase domain wall. The structure of such a charge excitation is studied in detail with numerical and analytical results for various quantities being in a very close agreement. An analytical picture of these excitations occupying an effective 1D stripe band is also in a very good accord with numerical data. The emerging concept advocates the primary role of the kinetic energy in favoring the stripe as a ground state. A comparative analysis suggests the effect of pairing and collective meandering on the energetics of the stripe formation to be secondary.
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Josephson current through the SYK model: We calculate the equilibrium Josephson current through a disordered interacting quantum dot described by a Sachdev-Ye-Kitaev model contacted by two BCS superconductors. We show that, at zero temperature and at the conformal limit, i.e. in the strong interacting limit, the Josephson current is suppressed by $U$, the strength of the interaction, as $\ln(U)/U$ and becomes universal, namely it gets independent on the superconducting pairing. At finite temperature $T$, instead, it depends on the ratio between the gap $\Delta$ and the temperature and goes as $\Delta^2/T^2$ for sufficiently large temperatures. A proximity effect exists but the self-energy corrections induced by the coupling with the superconducting leads seem subleading as compared to the self-energy due to the interaction for large number of particles.
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Lattice source for charge and spin inhomogeneity in 2D perovskite cuprates: In the work we highlight the structural features of 2D perovskite cuprates (tilted CuO$_6$ octahedra with different orientation with respect to spacer rocksalt layers), where sources of charge and spin inhomogeneity can be hidden. We used the impurity Anderson model with the Jahn-Teller(JT) local cells to show the charge inhomogeneity arises at any low doping concentration $x$, but disappears when the doping level exceeds threshold concentration $x_c$, and the lower the magnitudes $x_c$, the more JT region square. It is expected that spontaneous chiral symmetry breaking in the dynamic JT state of the stripe CuO$_2$ layer as a whole can lead to the appearance of the goldstone phonon mode. As consequence, the giant thermal Hall effect could be observed in the 2D perovskite cuprates with CuO$_6$ octahedra, rather than with CuO$_4$ squares, e.g. in Tl-based $n$ layer cuprates or cuprates based on the infinite-layer CaCuO$_2$ structure.
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Connecting high-field quantum oscillations to zero-field electron spectral functions in the underdoped cuprates: The central puzzle of the cuprate superconductors at low hole density is the nature of the pseudogap regime. It has a number of seemingly distinct experimental signatures: a suppression of the paramagnetic spin susceptibility at high temperatures, low energy electronic excitations that extend over arcs in the Brillouin zone, X-ray detection of charge density wave order at intermediate temperatures, and quantum oscillations at high magnetic fields and low temperatures. We show that a model of competing charge density wave and superconducting orders provides a unified description of the intermediate and low temperature regimes. We treat quantum oscillations at high field beyond semiclassical approximations, and find clear and robust signatures of an electron pocket compatible with existing observations; we also predict oscillations due to additional hole pockets. In the zero field and intermediate temperature regime, we compute the electronic spectrum in the presence of thermally fluctuating charge density and superconducting orders. Our results are compatible with experimental trends.
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Minimalist approach to the classification of symmetry protected topological phases: A number of proposals with differing predictions (e.g. Borel group cohomology, oriented cobordism, group supercohomology, spin cobordism, etc.) have been made for the classification of symmetry protected topological (SPT) phases. Here we treat various proposals on an equal footing and present rigorous, general results that are independent of which proposal is correct. We do so by formulating a minimalist Generalized Cohomology Hypothesis, which is satisfied by existing proposals and captures essential aspects of SPT classification. From this Hypothesis alone, formulas relating classifications in different dimensions and/or protected by different symmetry groups are derived. Our formalism is expected to work for fermionic as well as bosonic phases, Floquet as well as stationary phases, and spatial as well as on-site symmetries. As an application, we predict that the complete classification of 3-dimensional bosonic SPT phases with space group symmetry $G$ is $H^4_{\rm Borel}\left(G;U(1)\right) \oplus H^1_{\rm group}\left(G;\mathbb Z\right)$, where the $H^1$ term classifies phases beyond the Borel group cohomology proposal.
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Realistic Modeling of Complex Oxide Materials: Since electronic and magnetic properties of many transition-metal oxides can be efficiently controlled by external factors such as the temperature, pressure, electric or magnetic field, they are regarded as promising materials for various applications. From the viewpoint of electronic structure, these phenomena are frequently related to the behavior of a small group of states close to the Fermi level. The basic idea of this project is to construct a low-energy model for the states near the Fermi level on the basis of first-principles density functional theory, and to study this model by modern many-body techniques. After a brief review of the method, the abilities of this approach will be illustrated on a number of examples, including multiferroic manganites and spin-orbital-lattice coupled phenomena in RVO3 (R being the three-valent element).
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Intrasubband and Intersubband Electron Relaxation in Semiconductor Quantum Wire Structures: We calculate the intersubband and intrasubband many-body inelastic Coulomb scattering rates due to electron-electron interaction in two-subband semiconductor quantum wire structures. We analyze our relaxation rates in terms of contributions from inter- and intrasubband charge-density excitations separately. We show that the intersubband (intrasubband) charge-density excitations are primarily responsible for intersubband (intrasubband) inelastic scattering. We identify the contributions to the inelastic scattering rate coming from the emission of the single-particle and the collective excitations individually. We obtain the lifetime of hot electrons injected in each subband as a function of the total charge density in the wire.
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Decoherence of charge density waves in beam splitters for interacting quantum wires: Simple intersections between one-dimensional channels can act as coherent beam splitters for non-interacting electrons. Here we examine how coherent splitting at such intersections is affected by inter-particle interactions, in the special case of an intersection of topological edge states. We derive an effective impurity model which represents the edge-state intersection within Luttinger liquid theory at low energy. For Luttinger K = 1 / 2 , we compute the exact time-dependent expectation values of the charge density as well as the density-density correlation functions. In general a single incoming charge density wave packet will split into four outgoing wave packets with transmission and reflection coefficients depending on the strengths of the tunnelling processes between the wires at the junction. We find that when multiple charge density wave packets from different directions pass through the intersection at the same time, reflection and splitting of the packets depend on the relative phases of the waves. Active use of this phase-dependent splitting of wave packets may make Luttinger interferometry possible. We also find that coherent incident packets generally suffer partial decoherence from the intersection, with some of their initially coherent signal being transferred into correlated quantum noise. In an extreme case four incident coherent wave packets can be transformed entirely into density-density correlations, with the charge density itself having zero expectation value everywhere in the final state.
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Influence of phonon-assisted tunneling on the linear thermoelectric transport through molecular quantum dots: We investigate the effect of vibrational degrees of freedom on the linear thermoelectric transport through a single-level quantum dot described by the spinless Anderson-Holstein impurity model. To study the effects of strong electron-phonon coupling, we use the nonperturbative numerical renormalization group approach. We also compare our results, at weak to intermediate coupling, with those obtained by employing the functional renormalization group method, finding good agreement in this parameter regime. When applying a gate voltage at finite temperatures, the inelastic scattering processes, induced by phonon-assisted tunneling, result in an interesting interplay between electrical and thermal transport. We explore different parameter regimes and identify situations for which the thermoelectric power as well as the dimensionless figure of merit are significantly enhanced via a Mahan-Sofo type of mechanism. We show, in particular, that this occurs at strong electron-phonon coupling and in the antiadiabatic regime.
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Muon spin rotation and neutron scattering study of the non-centrosymmetric tetragonal compound CeAuAl3: We have investigated the non-centrosymmetric tetragonal heavy-fermion compound CeAuAl3 using muon spin rotation (muSR), neutron diffraction (ND) and inelastic neutron scattering (INS) measurements. We have also revisited the magnetic, transport and thermal properties. The magnetic susceptibility reveals an antiferromagnetic transition at 1.1 K with a possibility of another magnetic transition near 0.18 K. The heat capacity shows a sharp lambda-type anomaly at 1.1 K in zero-filed, which broadens and moves to higher temperature in applied magnetic field. Our zero-field muSR and ND measurements confirm the existence of a long-range magnetic ground state below 1.2 K. Further the ND study reveals an incommensurate magnetic ordering with a magnetic propagation vector k = (0, 0, 0.52) and a spiral structure of Ce moments coupled ferromagnetically within the ab-plane. Our INS study reveals the presence of two well-defined crystal electric field (CEF) excitations at 5.1 meV and 24.6 meV in the paramagnetic phase of CeAuAl3 which can be explained on the basis of the CEF theory. Furthermore, low energy quasi-elastic excitations show a Gaussian line shape below 30 K compared to a Lorentzian line shape above 30 K, indicating a slowdown of spin fluctuation below 30 K. We have estimated a Kondo temperature of TK=3.5 K from the quasi-elastic linewidth, which is in good agreement with that estimated from the heat capacity. This study also indicates the absence of any CEF-phonon coupling unlike that observed in isostructural CeCuAl3. The CEF parameters, energy level scheme and their wave functions obtained from the analysis of INS data explain satisfactorily the single crystal susceptibility in the presence of two-ion anisotropic exchange interaction in CeAuAl3.
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Magnetic tunneling induced Weyl node annihilation in TaP: Weyl nodes are topological objects in three-dimensional metals. Their topological property can be revealed by studying the high-field transport properties of a Weyl semimetal. While the energy of the lowest Landau band (LLB) of a conventional Fermi pocket always increases with magnetic field due to the zero point energy, the LLB of Weyl cones remains at zero energy unless a strong magnetic field couples the Weyl fermions of opposite chirality. In the Weyl semimetal TaP, we achieve such a magnetic coupling between the electron-like Fermi pockets arising from the W1 Weyl fermions. As a result, their LLBs move above chemical potential, leading to a sharp sign reversal in the Hall resistivity at a specific magnetic field corresponding to the W1 Weyl node separation. By contrast, despite having almost identical carrier density, the annihilation is unobserved for the hole-like pockets because the W2 Weyl nodes are much further separated. These key findings, corroborated by other systematic analyses, reveal the nontrivial topology of Weyl fermions in high-field measurements.
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NaCo2(SeO3)2(OH): Competing Magnetic Ground States of a New Sawtooth Structure with 3d7 Co2+ Ions: While certain magnetic sublattices have long been known theoretically to give rise to emergent physics via competing magnetic interactions and quantum effects, finding such configurations in real materials is often deeply challenging. Here we report the synthesis and characterization of a new such material, NaCo2(SeO3)2(OH) which crystallizes with a highly frustrated sublattice of sawtooth Co2+ chains. Single crystals of NaCo2(SeO3)2(OH) were synthesized using a low-temperature hydrothermal method. X-ray single crystal structure analysis reveals that the material crystallizes in orthorhombic space group of Pnma (no. 62). Its crystal structure exhibits one-dimensional chains of corner-sharing isosceles triangles that are made of two crystallographically distinct 3d7 Co2+ sites (Co(1) and Co(2)). The chains run along the b-axis and are interconnected via [SeO3] groups to form a three-dimensional structure mediating super-exchange interactions. The temperature dependent magnetization data show a ferromagnetic-like (FM) transition at 11 K (T1) followed by an antiferromagnetic (AFM) transition at about 6 K (T2). Neutron-powder diffraction measurements reveal that at T1 = 11 K only Co(2) site orders magnetically, forming ferromagnetic zigzag chains along the b-axis. Below T2 = 6 K, both Co(1) and Co(2) sites order in an nearly orthogonal configuration, with Co(1) moments lying inside the plane of the sawtooth chain while Co(2) moments cant out of the plane. The canting of the magnetic moments leads to a net ferromagnetic component along b-axis, parallel to the chain direction. The ordered moments are fully compensated in the ac-plane.
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Van der Waals Schottky barriers as interface probes of the correlation between chemical potential shifts and charge density wave formation in 1T-TiSe$_2$ and 2H-NbSe$_2$: Layered transition metal dichalcogenide (TMD) materials, i.e. 1T-TiSe$_2$ and 2H-NbSe$_2$, harbor a second order charge density wave (CDW) transition where phonons play a key role for the periodic modulations of conduction electron densities and associated lattice distortions. We systematically study the transport and capacitance characteristics over a wide temperature range of Schottky barriers formed by intimately contacting freshly exfoliated flakes of 1T-TiSe$_2$ and 2H-NbSe$_2$ to \textit{n}-type GaAs semiconductor substrates. The extracted temperature-dependent parameters (zero-bias barrier height, ideality and built-in potential) reflect changes at the TMD/GaAs interface induced by CDW formation for both TMD materials. The measured built-in potential reveals chemical-potential shifts relating to CDW formation. With decreasing temperature a peak in the chemical-potential shifts during CDW evolution indicates a competition between electron energy re-distributions and a combination of lattice strain energies and Coulomb interactions. These modulations of chemical potential in CDW systems, such as 1T-TiSe$_2$ and 2H-NbSe$_2$ harboring second-order phase transitions, reflect a corresponding conversion from short to long-range order.
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Quantum renormalization of entanglement in an antisymmetric anisotropic and bond-alternating spin system: The quantum renormalization group method is applied to study the quantum criticality and entanglement entropy of the ground state of the Ising chain in the presence of antisymmetric anisotropic couplings and alternating exchange interactions. The quantum phase transitions can be characterized by the discontinuity in the second derivative of the energy of renormalized ground state. The phase diagram is obtained by the critical boundary line. The first derivative of entanglement entropy also diverges at the same critical points after enough iterations of the renormalization of coupling constants. The antisymmetric anisotropy and alternating interaction can enhance the renormalized entanglement via the creation of quantum fluctuations. The scaling behavior of the derivative of the entropy around the critical points manifest the logarithm dependence on the size of the spin system.
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Photo-induced Tomonaga-Luttinger-like liquid in a Mott insulator: Photo-induced metallic states in a Mott insulator are studied for the half-filled, one-dimensional Hubbard model with the time-dependent density matrix renormalization group. An irradiation of strong AC field is found to create a linear dispersion in the optical spectrum (current-current correlation) in the nonequilibrium steady state reminiscent of the Tomonaga-Luttinger liquid for the doped Mott insulator in equilibrium. The spin spectrum in nonequilibrium retains the des Cloizeaux-Pearson mode with the spin velocity differing from the charge velocity. The mechanism of the photocarrier-doping, along with the renormalization in the charge velocity, is analyzed in terms of an effective Dirac model.
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Interaction-induced adiabatic cooling and antiferromagnetism of cold fermions in optical lattices: We propose an interaction-induced cooling mechanism for two-component cold fermions in an optical lattice. It is based on an increase of the ``spin'' entropy upon localisation, an analogue of the Pomeranchuk effect in liquid Helium 3. We discuss its application to the experimental realisation of the antiferromagnetic phase. We illustrate our arguments with Dynamical Mean-Field Theory calculations.
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Magnon-Hole Scattering and Charge Order in $Sr_{14-x}Ca_xCu_{24}O_{41}$: The magnon thermal conductivity $\kappa_{\mathrm{mag}}$ of the hole doped spin ladders in $\rm Sr_{14-x}Ca_xCu_{24}O_{41}$ has been investigated at low doping levels $x$. The analysis of $\kappa_{\mathrm{mag}}$ reveals a strong doping and temperature dependence of the magnon mean free path $l_{\mathrm{mag}}$ which is a local probe for the interaction of magnons with the doped holes in the ladders. In particular, this novel approach to studying charge degrees of freedom via spin excitations shows that charge ordering of the holes in the ladders leads to a freezing out of magnon-hole scattering processes.
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Negative local resistance caused by viscous electron backflow in graphene: Graphene hosts a unique electron system in which electron-phonon scattering is extremely weak but electron-electron collisions are sufficiently frequent to provide local equilibrium above liquid nitrogen temperature. Under these conditions, electrons can behave as a viscous liquid and exhibit hydrodynamic phenomena similar to classical liquids. Here we report strong evidence for this transport regime. We find that doped graphene exhibits an anomalous (negative) voltage drop near current injection contacts, which is attributed to the formation of submicrometer-size whirlpools in the electron flow. The viscosity of graphene's electron liquid is found to be ~0.1 m$^2$ /s, an order of magnitude larger than that of honey, in agreement with many-body theory. Our work shows a possibility to study electron hydrodynamics using high quality graphene.
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Scattering rate, transport and specific heat in a metal close to a quantum critical point : emergence of a robust Fermi liquid picture ?: We calculate the low temperature one-particle scattering rate and the specific heat in a weakly disordered metal close to a quantum critical point. To lowest order in the fluctuation potential, we obtain typical Fermi-liquid results proportional to T^2 and T respectively, with prefactors which diverge as a power law of the control parameter upon approaching the critical point. The Kadowaki-Woods ratio is shown to be independent of the control parameter only for the case of 3-D FM fluctuations. Our work is relevant for experiments on CeCoIn$_5$ and Sr_3Ru_2O_7.
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Nonresonant B1g Raman scattering in the Hubbard model: The numerically exact solution for nonresonant B1g Raman scattering is presented for the half-filled Hubbard model in infinite dimensions. This solution illustrates the modifications of the Raman response (in a system tuned through the quantum-critical point of a metal-insulator transition) due to Fermi-liquid properties in the metallic phase. In the insulating phase, we recover the predicted universal behavior, while we find the Raman response is quite anomalous on the metallic side of the transition. Our calculated results are similar to those measured in FeSi, SmB6, and underdoped cuprates.
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Spontaneous Magnetization of an Ideal Ferromagnet: Beyond Dyson's Analysis: Using the low-energy effective field theory for magnons, we systematically evaluate the partition function of the O(3) ferromagnet up to three loops. Dyson, in his pioneering microscopic analysis of the Heisenberg model, showed that the spin-wave interaction starts manifesting itself in the low-temperature expansion of the spontaneous magnetization of an ideal ferromagnet only at order $T^4$. Although several authors tried to go beyond Dyson's result, to the best of our knowledge, a fully systematic and rigorous investigation of higher order terms induced by the spin-wave interaction, has never been achieved. As we demonstrate in the present paper, it is straightforward to evaluate the partition function of an ideal ferromagnet beyond Dyson's analysis, using effective Lagrangian techniques. In particular, we show that the next-to-leading contribution to the spontaneous magnetization resulting from the spin-wave interaction already sets in at order $T^{9/2}$ -- in contrast to all claims that have appeared before in the literature. Remarkably, the corresponding coefficient is completely determined by the leading-order effective Lagrangian and is thus independent of the anisotropies of the cubic lattice. We also consider even higher-order corrections and thereby solve -- once and for all -- the question of how the spin-wave interaction in an ideal ferromagnet manifests itself in the spontaneous magnetization beyond the Dyson term.
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Systematic improvement of the Momentum Average approximation for the Green's function of a Holstein polaron: We show how to systematically improve the Momentum Average (MA)approximation for the Green's function of a Holstein polaron, bysystematically improving the accuracy of the self-energy diagrams in such a way that they can still all be summed efficiently. This allows us to fix some of the problems of the MA approximation, e.g. we now find the expected polaron+phonon continuum at the correct location, and a momentum-dependent self-energy. The quantitative agreement with numerical data is further improved, as expected since the number of exactly satisfied spectral weight sum rules is increased. The corrections are found to be larger in lower dimensional systems.
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Strong in-plane anisotropy in the electronic structure of fixed-valence $β$-LuAlB$_4$: The origin of intrinsic quantum criticality in the heavy-fermion superconductor $\beta$-YbAlB$_4$ has been attributed to strong Yb valence fluctuations and its peculiar crystal structure. Here, we assess these contributions individually by studying the isostructural but fixed-valence compound $\beta$-LuAlB$_4$. Quantum oscillation measurements and DFT calculations reveal a Fermi surface markedly different from that of $\beta$-YbAlB$_4$, consistent with a `large' Fermi surface there. We also find an unexpected in-plane anisotropy of the electronic structure, in contrast to the isotropic Kondo hybridization in $\beta$-YbAlB$_4$.
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Photoinduced Structural Phase Transitions in Polyacene: There exist two types of structural instability in polyacene: double bonds in a cis pattern and those in a trans pattern. They are isoenergetic but spectroscopically distinct. We demonstrate optical characterization and manipulation of Peierls-distorted polyacene employing both correlated and uncorrelated Hamiltonians. We clarify the phase boundaries of the cis- and trans-distorted isomers, elucidate their optical-conductivity spectra, and then explore their photoresponses. There occurs a photoinduced transformation in the polyacene structure, but it is one-way switching: The trans configuration is well convertible into the cis one, whereas the reverse conversion is much less feasible. Even the weakest light irradiation can cause a transition of uncorrelated electrons, while correlated electrons have a transition threshold against light irradiation.
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Emergent particle-hole symmetry in the half-filled Landau level: We provide an effective description of a particle-hole symmetric state of electrons in a half-filled Landau level, starting from the traditional approach pioneered by Halperin, Lee and Read. Specifically, we study a system consisting of alternating quasi-one-dimensional strips of composite Fermi liquid (CFL) and composite hole liquid (CHL), both of which break particle-hole symmetry. When the CFL and CHL strips are identical in size, the resulting state is manifestly invariant under the combined action of a particle-hole transformation with respect to a single Landau level (which interchanges the CFL and CHL) and translation by one unit, equal to the strip width, in the direction transverse to the strips. At distances long compared to the strip width, we demonstrate that the system is described by a Dirac fermion coupled to an emergent gauge field, with an anti-unitary particle-hole symmetry, as recently proposed by Son.
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Reduction of ordered moment and Neel temperature of quasi one-dimensional antiferromagnets Sr2CuO3 and Ca2CuO3: We report elastic neutron diffraction and muon spin relaxation (muSR) measurements of the quasi one-dimensional antiferromagnets Sr2CuO3 and Ca2CuO3, which have extraordinarily reduced TN/J ratios. We observe almost resolution-limited antiferromagnetic Bragg reflections in Sr2CuO3 and obtain a reduced ordered moment size of ~0.06 \muB. We find that the ratio of ordered moment size \mu(Ca2CuO3)/\mu(Sr2CuO3)=1.5(1) roughly scales with their Neel temperatures, which suggests that the ordered moment size of quasi one-dimensional antiferromagnets decreases continuously in the limit of vanishing inter-chain interactions.
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Random singlet-like phase of disordered Hubbard chains: Local moment formation is ubiquitous in disordered semiconductors such as Si:P, where it is observed both in the metallic and the insulating regimes. Here, we focus on local moment behavior in disordered insulators, which arises from short-ranged, repulsive electron-electron interactions. Using density matrix renormalization group and strong-disorder renormalization group methods, we study paradigmatic models of interacting insulators: one dimensional Hubbard chains with quenched randomness. In chains with either random fermion hoppings or random chemical potentials, both at and away from half-filling, we find exponential decay of charge and fermion 2-point correlations but power-law decay of spin correlations that are indicative of the random singlet phase. The numerical results can be understood qualitatively by appealing to the large-interaction limit of the Hubbard chain, in which a remarkably simple picture emerges.
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Paramagnetism in the kagome compounds (Zn,Mg,Cd)Cu$_{3}$(OH)$_{6}$Cl$_{2}$: Frustrated magnetism on the kagome lattice has been a fertile ground for rich and fascinating physics, ranging from experimental evidence of a spin liquid to theoretical predictions of exotic superconductivity. Among experimentally realized spin-$\frac{1}{2}$ kagome magnets, herbertsmithite, kapellasite, and haydeeite [(Zn,Mg)Cu$_{3}$(OH)$_{6}$Cl$_{2}$] are all well described by a three-parameter Heisenberg model, but they exhibit distinctly different physics. We address the problem using a pseudofermion functional renormalization-group approach and analyze the low-energy physics in the experimentally accessible parameter range. Our analysis places kapellasite and haydeeite near the boundaries between magnetically ordered and disordered phases, implying that slight modifications could dramatically affect their magnetic properties. Inspired by this, we perform \textit{ab initio} density functional theory calculations of (Zn,Mg,Cd)Cu$_{3}$ (OH)$_{6}$Cl$_{2}$ at various pressures. Our results suggest that by varying pressure and composition one can traverse a paramagnetic regime between different magnetically ordered phases.
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Local magnetic moment formation and Kondo screening in the half filled two dimensional single band Hubbard model: We study formation of local magnetic moments in strongly correlated Hubbard model within dynamical mean field theory and associate peculiarities of temperature dependence of local charge $\chi_c$ and spin $\chi_s$ susceptibilities with different stages of local moment formation. Local maximum of temperature dependence of the charge susceptibility $\chi_c$ is associated with beginning of local magnetic moments formation, while the minimum of the susceptibility $\chi_c$ and double occupation, as well as low temperature boundary of the plateau of effective local magnetic moment $\mu_{\rm eff}^2=T\chi_s$ temperature dependence are connected with full formation of local moments. We also obtain interaction dependence of the Kondo temperature $T_K$, which is compared to the fingerprint criterion of Phys. Rev. Lett. 126, 056403 (2021). Near the Mott transition the two criteria coincide, while further away from Mott transition the fingerprint criterion somewhat overestimates Kondo temperature. The relation of the observed features to the behavior of eigenvectors/eigenvalues of fermionic frequency-resolved charge susceptibility and divergences of irreducible vertices is discussed.
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Orbital superexchange and crystal field simultaneously at play in YVO3: resonant inelastic x-ray scattering at the V L edge and the O K edge: We report on the observation of orbital excitations in YVO3 by means of resonant inelastic x-ray scattering (RIXS) at energies across the vanadium L3 and oxygen K absorption edges. Due to the excellent experimental resolution we are able to resolve the intra-t2g excitations at 0.1-0.2 eV, 1.07 eV, and 1.28 eV, the lowest excitations from the t2g into the eg levels at 1.86 eV, and further excitations above 2.2 eV. For the intra-t2g excitations at 0.1-0.2 eV, the RIXS peaks show small shifts of the order of 10-40 meV as a function of temperature and of about 13-20 meV as a function of the transferred momentum q||a. We argue that the latter reflects a finite dispersion of the orbital excitations. For incident energies tuned to the oxygen K edge, RIXS is more sensitive to intersite excitations. We observe excitations across the Mott-Hubbard gap and find an additional feature at 0.4 eV which we attribute to two-orbiton scattering, i.e., an exchange of orbitals between adjacent sites. Altogether, these results indicate that both superexchange interactions and the coupling to the lattice are important for a quantitative understanding of the orbital excitations in YVO3.
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Spin-triplet f-wave pairing due to three-site cyclic-exchange ferromagnetic interactions: Ferromagnetiam and superconductivity in a two-dimensional triangular-lattice Hubbard model are studied using the density-matrix renormalization group method. We propose a mechanism of the {\it f}-wave spin-triplet pairing derived from the three-site cyclic-exchange ferromagnetic interactions. We point out that a triangular network of hopping integrals, which is required for the three-site cyclic hopping processes, is contained in the (possibly) spin-triplet superconducting systems, such as Bechgaard salts (TMTSF)$_2$X, cobalt oxide Na$_{0.35}$CoO$_2$$\cdot$1.3H$_2$O, and layered perovskite Sr$_2$RuO$_4$.
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Orbital Polarization in Strained LaNiO$_{3}$: Structural Distortions and Correlation Effects: Transition-metal heterostructures offer the fascinating possibility of controlling orbital degrees of freedom via strain. Here, we investigate theoretically the degree of orbital polarization that can be induced by epitaxial strain in LaNiO$_3$ films. Using combined electronic structure and dynamical mean-field theory methods we take into account both structural distortions and electron correlations and discuss their relative influence. We confirm that Hund's rule coupling tends to decrease the polarization and point out that this applies to both the $d^8\underline{L}$ and $d^7$ local configurations of the Ni ions. Our calculations are in good agreement with recent experiments, which revealed sizable orbital polarization under tensile strain. We discuss why full orbital polarization is hard to achieve in this specific system and emphasize the general limitations that must be overcome to achieve this goal.
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Electronic correlations and magnetic interactions in infinite-layer NdNiO$_2$: The large antiferromagnetic exchange coupling in the parent high-$T_{\rm c}$ cuprate superconductors is believed to play a crucial role in pairing the superconducting carriers. The recent observation of superconductivity in hole-doped infinite-layer (IL-) NdNiO$_2$ brings to the fore the relevance of magnetic coupling in high-$T_{\rm c}$ superconductors, particularly because no magnetic ordering is observed in the undoped IL-NdNiO$_2$ unlike in parent copper oxides. Here, we investigate the electronic structure and the nature of magnetic exchange in IL-NdNiO$_2$ using state-of-the-art many-body quantum chemistry methods. From a systematic comparison of the electronic and magnetic properties with isostructural cuprate IL-CaCuO$_2$, we find that the on-site dynamical correlations are significantly stronger in IL-NdNiO$_2$ compared to the cuprate analog. These dynamical correlations play a critical role in the magnetic exchange resulting in an unexpectedly large antiferromagnetic nearest neighbor isotropic $J$ of 77 meV between the Ni$^{1+}$ ions within the $ab$-plane. While we find many similarities in the electronic structure between the nickelate and the cuprate, the role of electronic correlations is profoundly different in the two. We further discuss the implications of our findings in understanding the origin of superconductivity in nickelates.
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Computation of dynamical correlation functions of Heisenberg chains: the gapless anisotropic regime: We compute all dynamical spin-spin correlation functions for the spin-1/2 $XXZ$ anisotropic Heisenberg model in the gapless antiferromagnetic regime, using numerical sums of exact determinant representations for form factors of spin operators on the lattice. Contributions from intermediate states containing many particles and string (bound) states are included. We present modified determinant representations for the form factors valid in the general case with string solutions to the Bethe equations. Our results are such that the available sum rules are saturated to high precision. We Fourier transform our results back to real space, allowing us in particular to make a comparison with known exact formulas for equal-time correlation functions for small separations in zero field, and with predictions for the zero-field asymptotics from conformal field theory.
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de Haas-van Alphen oscillations in quasi-two-dimensional underdoped cuprate superconductors in the canonical ensemble: We calculate the de Haas-van Alphen (dHvA) effect waveform using the canonical ensemble for different Fermi surface scenarios applicable to the underdoped cuprate superconductor YBa2Cu3O6.5, in which quantum oscillations have recently been observed. The harmonic content of the dHvA waveform of the principal F ~ 500 T frequency is consistent with the existence of a second thermodynamically dominant section of Fermi surface that acts primarily as a charge reservoir. Oscillations in the charge density to and from this reservoir are shown to potentially contribute to the observed large quantum oscillations in the Hall resistance.
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Magnon-phonon interactions in magnetic insulators: We address the theory of magnon-phonon interactions and compute the corresponding quasi-particle and transport lifetimes in magnetic insulators with focus on yttrium iron garnet at intermediate temperatures from anisotropy- and exchange-mediated magnon-phonon interactions, the latter being derived from the volume dependence of the Curie temperature. We find in general weak effects of phonon scattering on magnon transport and the Gilbert damping of the macrospin Kittel mode. The magnon transport lifetime differs from the quasi-particle lifetime at shorter wavelengths.
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Construction of Variational Matrix Product States for the Heisenberg Spin-1 Chain: We propose a simple variational wave function that captures the correct ground state energy of the spin-1 Heisenberg chain model to within 0.04\%. The wave function is written in the matrix product state (MPS) form with the bond dimension $D=8$, and characterized by three fugacity parameters. The proposed MPS generalizes the Affleck-Kennedy-Lieb-Tasaki (AKLT) state by dressing it with dimers, trimers, and general $q$-dimers. The fugacity parameters control the number and the average size of the $q$-mers. Furthermore, the $D=8$ variational MPS state captures the ground states of the entire family of bilinear-biquadratic Hamiltonian belonging to the Haldane phase to high accuracy. The 2-4-2 degeneracy structure in the entanglement spectrum of our MPS state is found to match well with the results of density matrix renormalization group (DMRG) calculation, which is computationally much heavier. Spin-spin correlation functions also find excellent fit with those obtained by DMRG.
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A Simple Treatment of Metal-Insulator Transition: Effects of Degeneracy, Temperature and Applied Magnetic Field: A simple slave-boson representation combined with the Hartree-Fock approximation for the Hund's rule coupling is introduced for a doubly degenerate narrow band, which bears a direct relation to that introduced previously in the nondegenerate case. Namely, one keeps the fermion representation of the spin operator to recover properly the energy of fermionic quasiparticles in the presence of an applied magnetic field. A simple two-parameter mean-field analysis of the metamagnetism is provided, with the emphasis on the role of the Hund's rule coupling. We also analyse the appearance of the spin-split effective masses in the applied field and for nonhalf-filled-band situation. The Mott-Hubbard boundary is determined at nonzero temperature (T>0); it shifts towards lower interactions with increasing T and the field signalling the precursory localization effects, explicitly exhibited in the behavior of the magnetic susceptibility calculated in the Appendix. We also formulate a more general two-parameter rotationally invariant approach for an arbitrary degeneracy d of equivalent orbitals and show that the Mott-Hubbard transition at zero temperature and at any integer filling n>1 is always discontinuous. A brief overview of experimental situation is also made.
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Prototypical many-body signatures in transport properties of semiconductors: We devise a methodology for charge, heat, and entropy transport driven by carriers with finite lifetimes. Combining numerical simulations with analytical expressions for low temperatures, we establish a comprehensive and thermodynamically consistent phenomenology for transport properties in semiconductors. We demonstrate that the scattering rate (inverse lifetime) is a relevant energy scale: It causes the emergence of several characteristic features in each transport observable. The theory is capable to reproduce -- with only a minimal input electronic structure -- the full temperature profiles measured in correlated narrow-gap semiconductors. In particular, we account for the previously elusive low-$T$ saturation of the resistivity and the Hall coefficient, as well as the (linear) vanishing of the Seebeck and Nernst coefficient in systems, such as FeSb$_2$, FeAs$_2$, RuSb$_2$ and FeGa$_3$.
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Coexisting charge-ordered states with distinct driving mechanisms in monolayer VSe$_2$: Thinning crystalline materials to two dimensions (2D) creates a rich playground for electronic phases, including charge, spin, superconducting, and topological order. Bulk materials hosting charge density waves (CDWs), when reduced to ultrathin films, have shown CDW enhancement and tunability. However, charge order confined to only 2D remains elusive. Here we report a distinct charge ordered state emerging in the monolayer limit of $1T$-VSe$_2$. Systematic scanning tunneling microscopy experiments reveal that bilayer VSe$_2$ largely retains the bulk electronic structure, hosting a tri-directional CDW. However, monolayer VSe$_2$ -- consistently across distinct substrates -- exhibits a dimensional crossover, hosting two CDWs with distinct wavelengths and transition temperatures. Electronic structure calculations reveal that while one CDW is bulk-like and arises from the well-known Peierls mechanism, the other is decidedly unconventional. The observed CDW-lattice decoupling and the emergence of a flat band suggest that the new CDW could arise from enhanced electron-electron interactions in the 2D limit. These findings establish monolayer-VSe$_2$ as a host of coexisting charge orders with distinct origins, and enable the tailoring of electronic phenomena via emergent interactions in 2D materials.
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Double-Exchange Model on Triangle Chain: We study ground state properties of the double-exchange model on triangle chain in the classical limit on $t_{2g}$ spins. The ground state is determined by a competition among the kinetic energy of the $e_g$ electron, the antiferromagnetic exchange energy between the $t_{2g}$ spins, and frustration due to a geometric structure of the lattice. The phase diagrams are obtained numerically for two kinds of the models which differ only in the transfer integral being real or complex. The properties of the states are understood from the viewpoint of the spin-induced Peierls instability. The results suggest the existence of a chiral glass phase which is characterized by a local spin chirality and a continuous degeneracy.
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Bose condensation in a model microcavity: We study the equilibrium properties of a system of dipole-active excitons coupled to a single photon mode at fixed total excitation. Treating the presence or absence of a trapped exciton as a two-level system produces a model that is exactly soluble. It gives a simple description of the physics of polariton condensation in optical cavities beyond the low-density bosonic regime.
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Incommensurate magnetic orders and topological Hall effect in the square-net centrosymmetric EuGa$_2$Al$_2$ system: Neutron diffraction on the centrosymmetric square-net magnet EuGa$_2$Al$_2$ reveals multiple incommensurate magnetic states (AFM1,2,3) in zero field. In applied field, a new magnetic phase (A) is identified from magnetization and transport measurements, bounded by two of the $\mu_0H$~=~0 incommensurate magnetic phases (AFM1,helical and AFM3, cycloidal) with different moment orientations. Moreover, magneto-transport measurements indicate the presence of a topological Hall effect, with maximum values centered in the A phase. Together, these results render EuGa$_2$Al$_2$ a material with non-coplanar or topological spin texture in applied field. X-ray diffraction reveals an out-of-plane (OOP) charge density wave (CDW) below $T_{CDW} \sim$ 50 K while the magnetic propagation vector lies in plane below $T_N$ = 19.5 K. Together these data point to a new route to realizing in-plane non-collinear spin textures through an OOP CDW. In turn, these non-collinear spin textures may be unstable against the formation of topological spin textures in an applied field.
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Magnetic excitations in the low-temperature ferroelectric phase of multiferroic YMn2O5 using inelastic neutron scattering: We studied magnetic excitations in a low-temperature ferroelectric phase of the multiferroic YMn2O5 using inelastic neutron scattering (INS). We identify low-energy magnon modes and establish a correspondence between the magnon peaks observed by INS and electromagnon peaks observed in optical absorption [1]. Furthermore, we explain the microscopic mechanism, which results in the lowest-energy electromagnon peak, by comparing the inelastic neutron spectral weight with the polarization in the commensurate ferroelectric phase.
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