publicationDate stringlengths 1 2.79k | title stringlengths 1 36.5k ⌀ | abstract stringlengths 1 37.3k ⌀ | id stringlengths 9 47 |
|---|---|---|---|
2013-09-16 | Superconductivity in LiFeO2Fe2Se2 with anti-PbO-type Spacer Layers | Superconductivity has been found in the iron-arsenides with different
structures by alternative stacking of the conducting Fe2As2 layers and spacer
layers including alkali- or alkali-earth metal ions and PbO- or perovskite-type
oxides blocks. So far, no spacer layer could be intercalated in between the
neutral Fe2Se2 l... | 1309.3833v3 |
2014-01-24 | Effect of correlations and doping on the spin susceptibility of iron pnictides: the case of KFe2As2 | The temperature dependence of the paramagnetic susceptibility of the iron
pnictide superconductor KFe2As2 and its connection with the spectral properties
of that material is investigated by a combination of density functional theory
(DFT) in the local density approximation and dynamical mean-field theory
(DMFT). Unlike... | 1401.6291v3 |
2014-02-12 | Electric double-layer transistor using layered iron selenide Mott insulator TlFe1.6Se2 | A1-xFe2-ySe2 (A = K, Cs, Rb, Tl) are recently discovered iron-based
superconductors with critical temperatures (Tc) ranging up to 32 K. Their
parent phases have unique properties when compared with other iron-based
superconductors; e.g., their crystal structures include ordered Fe vacancies,
their normal states are ant... | 1402.2767v2 |
2014-03-24 | Discovery of Enhanced Radiative Recombination Continua of He-like Iron and Calcium from IC 443 and Its Implications | We present deep observations of the Galactic supernova remnant IC 443 with
the {\it Suzaku X-ray satellite}. We find prominent K-shell lines from iron and
nickel, together with a triangle residual at 8--10~keV, which corresponds to
the energy of the radiative recombination continuum (RRC) of He-like iron. In
addition, ... | 1403.5850v1 |
2014-04-18 | Faint Population III supernovae as the origin of the most iron-poor stars | The most iron-deficient stars in the Milky Way provide important
observational constraints on the nature of astrophysical objects that have
enriched the primordial gas with heavy elements from which these stars were
formed. Among them, the recently discovered iron-deficient star SMSS
J031300.36-670839.3 shows a remarka... | 1404.4817v3 |
2014-04-27 | Extraordinary quasiparticle scattering and bandwidth-control by dopants in iron-based superconductors | The diversities in crystal structures and ways of doping result in extremely
diversified phase diagrams for iron-based superconductors. With angle-resolved
photoemission spectroscopy (ARPES), we have systematically studied the effects
of chemical substitution on the electronic structure of various series of
iron-based ... | 1404.6716v1 |
2014-04-28 | Relativistic iron K alpha line detection in the Suzaku spectra of IC 4329A | We present an analysis of five Suzaku observations of the bright Seyfert1
galaxy IC 4329A. The broad energy band and high signal-to-noise ratio of the
data give new constraints on the iron K alpha line profile and its relationship
with the Compton hump at higher energies. The Fe K bandpass is dominated by a
narrow core... | 1404.7126v1 |
2014-05-15 | Control and diagnosis of temperature, density, and uniformity in x-ray heated iron/magnesium samples for opacity measurements | Experimental tests are in progress to evaluate the accuracy of the modeled
iron opacity at solar interior conditions, in particular to better constrain
the solar abundance problem [S. Basu and H.M. Antia, Physics Reports 457, 217
(2008)]. Here we describe measurements addressing three of the key requirements
for reliab... | 1405.4012v1 |
2014-07-03 | A Clumpy Stellar Wind and Luminosity-Dependent Cyclotron Line Revealed by The First Suzaku Observation of the High-Mass X-ray Binary 4U 1538-522 | We present results from the first Suzaku observation of the high-mass X-ray
binary 4U 1538-522. The broad-band spectral coverage of Suzaku allows for a
detailed spectral analysis, characterizing the cyclotron resonance scattering
feature at $23.0 \pm 0.4$ keV and the iron K$\alpha$ line at $6.426 \pm 0.008$
keV, as wel... | 1407.1028v1 |
2014-12-23 | Phase diagram of (Li1-xFex)OHFeSe: a bridge between iron selenide and arsenide superconductors | Previous experimental results have shown important differences between iron
selenide and arsenide superconductors, which seem to suggest that the high
temperature superconductivity in these two subgroups of iron-based family may
arise from different electronic ground states. Here, we report the complete
phase diagram o... | 1412.7236v1 |
2015-06-12 | Observation of universal strong orbital-dependent correlation effects in iron chalcogenides | Establishing the appropriate theoretical framework for unconventional
superconductivity in the iron-based materials requires correct understanding of
both the electron correlation strength and the role of Fermi surfaces. This
fundamental issue becomes especially relevant with the discovery of the iron
chalcogenide (FeC... | 1506.03888v2 |
2015-07-22 | Mott localization in a pure stripe antiferromagnet Rb$_{1-δ}$Fe$_{1.5-σ}$S$_2$ | A combination of neutron diffraction and angle-resolved photoemission
spectroscopy measurements on a pure antiferromagnetic stripe
Rb$_{1-\delta}$Fe$_{1.5-\sigma}$S$_2$ is reported. A neutron diffraction
experiment on a powder sample shows that a 98$\%$ volume fraction of the sample
is in the antiferromagnetic stripe p... | 1507.06062v2 |
2015-09-18 | A disk wind interpretation of the strong Fe Kα features in 1H 0707-495 | 1H 0707-495 is the most convincing example of a supermassive black hole with
an X-ray spectrum being dominated by extremely smeared, relativistic
reflection, with the additional requirement of strongly supersoler iron
abundance. However, here we show that the iron features in its 2--10 keV
spectrum are rather similar t... | 1509.05645v3 |
2015-09-29 | The Impact of Enhanced Iron Opacity on Massive Star Pulsations: Updated Instability Strips | Recently, Bailey et al. (2015) made a direct measurement of the Iron opacity
at the physical conditions of the solar tachocline. They found that the
wavelength-integrated Iron opacity is roughly 75% higher that what the OP and
OPAL models predict. Here, we compute new opacity tables with enhanced Iron and
Nickel contri... | 1509.08652v1 |
2015-10-28 | Variability of the X-ray Broad Iron Spectral Features in Active Galactic Nuclei and Black-hole Binaries | The "broad iron spectral features" are often seen in X-ray spectra of Active
Galactic Nuclei (AGN) and black-hole binaries (BHB). These features may be
explained either by the "relativistic disc reflection" scenario or the "partial
covering" scenario: It is hardly possible to determine which model is valid
from time-av... | 1510.08189v1 |
2015-11-24 | Origin of the X-ray Broad Iron Spectral Feature in GRS 1915+105 | The X-ray spectrum of GRS 1915+105 is known to have a ``broad iron spectral
feature'' in the spectral hard state. Similar spectral features are often
observed in Active Galactic Nuclei (AGNs) and other black-hole binaries (BHBs),
and several models have been proposed for explaining it. In order to
distinguish spectral ... | 1511.07630v1 |
2016-01-11 | Investigation of iron emission lines in the eclipsing high mass X-ray binary pulsar OAO 1657-415 | We present the results obtained from timing and spectral studies of high mass
X-ray binary pulsar OAO 1657-415 using a Suzaku observations in 2011 September.
X-ray pulsations were detected in the light curves up to $\sim$70 keV. The
continuum spectra during the high- and low-flux regions in light curves were
well descr... | 1601.02345v1 |
2016-01-25 | Iron Opacity Bump Changes the Stability and Structure of Accretion Disks in Active Galactic Nuclei | Accretion disks around supermassive black holes have regions where the
Rosseland mean opacity can be much larger than the electron scattering opacity
primarily due to the large number of bound-bound transitions in iron. We study
the effects of this iron opacity "bump" on the thermal stability and vertical
structure of ... | 1601.06836v1 |
2016-02-09 | Quantum states entanglement in hemoglobin molecule active center | An ab initio study of the electronic and spin configuration for the iron ion
in the active center of the human hemoglobin molecule is presented. It is well
known that the iron ion, being surrounded by the porphyrin ring and the
ligands, plays the key role in the realization of the basic oxygen-transport
functions of th... | 1602.02963v2 |
2016-03-29 | Spin crossover in (Mg,Fe$^{3+}$)(Si,Fe$^{3+}$)O$_3$ bridgmanite: effects of disorder, iron concentration, and temperature | The spin crossover of iron in Fe$^{3+}$-bearing bridgmanite, the most
abundant mineral of the Earth's lower mantle, is by now a well-established
phenomenon, though several aspects of this crossover remain unclear. Here we
investigate effects of disorder, iron concentration, and temperature on this
crossover using ab in... | 1603.08947v1 |
2016-04-28 | On the evolution of the inner disk radius with flux in the neutron star low-mass X-ray binary Serpens X-1 | We analyze the latest \emph{Suzaku} observation of the bright neutron star
low-mass X-ray binary Serpens X-1 taken in 2013 October and 2014 April. The
observation was taken using the burst mode and only suffered mild pile-up
effects. A broad iron line is clearly detected in the X-ray spectrum. We test
different models ... | 1604.08626v2 |
2016-06-08 | A critical look at the merger scenario to explain multiple populations and rotation in iron-complex globular clusters | Merging has been proposed to explain multiple populations in globular
clusters (GCs) where there is a spread in iron abundance (hereafter,
iron-complex GCs). By means of N-body simulations, we investigate if merging is
consistent with the observations of sub-populations and rotation in
iron-complex GCs. The key paramet... | 1606.02743v1 |
2016-07-30 | Observation of the anisotropic Dirac cone in the band dispersion of 112-structured iron-based superconductor Ca0.9La0.1FeAs2 | CaFeAs2 is a parent compound of recently discovered 112-type iron-based
superconductors. It is predicted to be a staggered intercalation compound that
naturally integrates both quantum spin Hall insulating and superconducting
layers and an ideal system for the realization of Majorana modes. We performed
a systematical ... | 1608.00072v1 |
2016-11-23 | High-Tc superconductivity in FeSe at high pressure: Dominant hole carriers and enhanced spin fluctuations | The importance of electron-hole interband interactions is widely acknowledged
for iron-pnictide superconductors with high transition temperatures (Tc).
However, high-Tc superconductivity without hole carriers has been suggested in
FeSe single-layer films and intercalated iron-selenides, raising a fundamental
question w... | 1611.07973v1 |
2017-03-09 | Orbital selective pairing and superconductivity in iron selenides | An important challenge in condensed matter physics is understanding
iron-based superconductors. Among these systems, the iron selenides hold the
record for highest superconducting transition temperature and pose especially
striking puzzles regarding the nature of superconductivity. The pairing state
of the alkaline iro... | 1703.03170v1 |
2017-04-18 | Unified phase diagram for iron-based superconductors | High-temperature superconductivity is closely adjacent to a long-range
antiferromagnet, which is called a parent compound. In cuprates, all parent
compounds are alike and carrier doping leads to superconductivity, so a unified
phase diagram can be drawn. However, the properties of parent compounds for
iron-based superc... | 1704.05182v2 |
2017-07-04 | Optical properties of non-stoichiometric amorphous silicates with application to circumstellar dust extinction | Optical constants of non-stoichiometric amorphous magnesium-iron silicates
are determined. It is demonstrated that these can well reproduce the observed
mid-infrared emission spectra of evolved stars. Stoichiometric and
non-stoichiometric amorphous magnesium-iron silicate films are fabricated by
pulsed laser deposition... | 1707.00903v1 |
2017-10-05 | Whether it is possible to stabilize the 1144-phase pnictides with tri-valence cations? | The 1144 iron arsenide (e.g. CaKFe4As4) has recently been discovered and
inspired a tide of search for superconductors. Such far, the discovered
compounds are confined to iron arsenides (ABFe4As4), where A and B are either
alkali metals or alkaline earth elements. In this work, we propose two
directions in searching 11... | 1710.01868v2 |
2018-02-28 | The Coulomb problem in iron based superconductors | We discuss the role of strong Coulomb interactions in iron-based
superconductors (FeSCs). The presumed $s^{\pm}$ character of these
superconductors means that the condensate is not symmetry protected against
Coulomb repulsion. Remarkably, the transition temperatures and the excitation
gap are quite robust across the la... | 1802.10580v3 |
2018-03-02 | Direct observation of multiple topological phases in the iron-based superconductor Li(Fe,Co)As | Topological insulators/semimetals and unconventional iron-based
superconductors have attracted major attentions in condensed matter physics in
the past 10 years. However, there is little overlap between these two fields,
although the combination of topological states and superconducting states will
produce more exotic ... | 1803.00846v1 |
2018-06-06 | First-principles calculations of iron-hydrogen reactions in silicon | Controlling the contamination of silicon materials by iron, especially
dissolved interstitial iron (Fe$_{\mathrm{i}}$), is a longstanding problem with
recent developments and several open issues. Among these we have the question
whether hydrogen can assist iron diffusion, or if significant amounts of
substitutional iro... | 1806.02249v2 |
2018-08-16 | Atomic iron and titanium in the atmosphere of the exoplanet KELT-9b | The chemical composition of an exoplanet is a key ingredient in constraining
its formation history. Iron is the most abundant transition metal, but has
never been directly detected in an exoplanet due to its highly refractory
nature. KELT-9b (HD 195689b) is the archetype of the class of ultra-hot
Jupiters that straddle... | 1808.05653v1 |
2019-04-15 | Using the infrared iron lines to probe solar subsurface convection | Studying the properties of the solar convection using high-resolution
spectropolarimetry began in the early 90's with the focus on observations in
the visible wavelength regions. Its extension to the infrared (IR) remains
largely unexplored. The IR iron lines around 15600\,$\rm{\AA}$, most commonly
known for their high... | 1904.07306v1 |
2019-05-21 | Impact of the fac/mer isomerism on the excited states dynamics of pyridyl-carbene Fe(II) complexes | The control of photophysical properties of iron complexes and especially of
their excited states decay is a great challenge in the search for sustainable
alternatives to noble metals in photochemical applications. Herein we report
the synthesis and investigations of the photophysics of mer and fac iron
complexes bearin... | 1905.08858v1 |
2019-10-03 | Decoupling of Lattice and Orbital Degrees of Freedom in an Iron-Pnictide Superconductor | The interplay of structural and electronic phases in iron-based
superconductors is a central theme in the search for the superconducting
pairing mechanism. While electronic nematicity, defined as the breaking of
four-fold symmetry triggered by electronic degrees of freedom, is competing
with superconductivity, the effe... | 1910.01639v2 |
2020-02-05 | Spin Resonances in Iron-Selenide High-Tc Superconductors by Proximity to Hidden Spin Density Wave | Recent inelastic neutron scattering studies by Pan et al., Nature
Communications 8, 123 (2017), find evidence for spin excitations at energies
above the quasi-particle gap in an iron-selenide high-Tc superconductor. The
momenta of the spin excitations form a diamond around the checkerboard
wavevector, Q_AF, that is ass... | 2002.01732v2 |
2020-10-01 | A Molecular Dynamics Investigation of Mechanical Properties of Graphene Reinforced Iron Composite and The Effect of Vacancy Defect Distance from the Matrix-Fiber Interface | Graphene is a material of excellent mechanical properties, which make it an
ideal fiber for reinforcing metal. Since iron is the most used metal in the
world, reinforcing iron with graphene can reduce the overall requirement of
material in any application where strength is demanded. However, the effect of
graphene rein... | 2010.00274v1 |
2021-06-04 | Magnetic states of quasi-one-dimensional iron chalcogenide Ba$_2$FeS$_3$ | Quasi-one-dimensional iron-based ladders and chains, with the 3$d$ iron
electronic density $n = 6$, are attracting considerable attention. Recently, a
new iron chain system Ba$_2$FeS$_3$, also with $n = 6$, was prepared under
high-pressure and high-temperature conditions. Here, the magnetic and
electronic phase diagram... | 2106.02753v2 |
2021-07-29 | Modelling disease progression with multi-level electronic health records data and informative observation times: an application to treating iron deficiency anaemia in primary care of the UK | Modelling disease progression of iron deficiency anaemia (IDA) following oral
iron supplement prescriptions is a prerequisite for evaluating the
cost-effectiveness of oral iron supplements. Electronic health records (EHRs)
from the Clinical Practice Research Datalink (CPRD) provide rich longitudinal
data on IDA disease... | 2107.13956v1 |
2021-10-27 | Globular Cluster Intrinsic Iron Abundance Spreads: II. Protocluster Metallicities and the Age-Metallicity Relations of Milky Way Progenitors | Intrinsic iron abundance spreads in globular clusters, although usually
small, are very common, and are signatures of self enrichment: some stars
within the cluster have been enriched by supernova ejecta from other stars
within the same cluster. We use the Bailin (2018) self enrichment model to
predict the relationship... | 2110.14571v1 |
2021-12-08 | Prediction of orbital selective Mott phases and block magnetic states in the quasi-one-dimensional iron chain Ce$_2$O$_2$FeSe$_2$ under hole and electron doping | The recent detailed study of quasi-one-dimensional iron-based ladders, with
the $3d$ iron electronic density $n = 6$, has unveiled surprises, such as
orbital-selective phases. However, similar studies for $n=6$ iron chains are
still rare. Here, a three-orbital electronic Hubbard model was constructed to
study the magne... | 2112.04049v1 |
2022-01-07 | First-principles study on the solute-induced low diffusion and self-trapping of helium in fcc iron | The addition of alloying elements plays an essential role in helium (He)
behaviours produced by transmutation in metal alloys. Effects of solutes (Ni,
Cr, Ti, P, Si, C) on the behaviours of He and He-He pair in face-centred cube
(fcc) iron have been investigated using first-principles calculations based on
density func... | 2201.02423v1 |
2022-02-17 | Helium absorption in exoplanet atmospheres is connected to stellar coronal abundances | Transit observations in the helium triplet around 10830 Angstrom are a
successful tool to study exoplanetary atmospheres and their mass loss. Forming
those lines requires ionisation and recombination of helium in the exoplanetary
atmosphere. This ionisation is caused by stellar photons at extreme
ultra-violet (EUV) wav... | 2202.08838v1 |
2022-05-24 | Iron as a sustainable chemical carrier of renewable energy: Analysis of opportunities and challenges for retrofitting coal-fired power plants | As a result of the 2021 United Nations Climate Change Conference (COP26),
several countries committed to phasing down coal electricity as soon as
possible, deactivating hundreds of power plants in the near future. CO$_2$-free
electricity can be generated in these plants by retrofitting them for iron
combustion. Iron ox... | 2205.11944v1 |
2022-11-10 | Inferring Type II-P Supernova Progenitor Masses from Plateau Luminosities | Connecting observations of core-collapse supernova explosions to the
properties of their massive star progenitors is a long-sought, and challenging,
goal of supernova science. Recently, Barker et al. (2022) presented bolometric
light curves for a landscape of progenitors from spherically symmetric
neutrino-driven core-... | 2211.05789v2 |
2022-12-13 | Antiferromagnetic iron based magnetoelectric compounds | The Landau free-energy of a compound that benefits from a linear coupling of
an electric field and a magnetic field includes a product of the two fields,
one polar and time-even and one axial and time-odd. In ME compounds,
expectation values of some atomic magnetic tensors are invariant with respect
to anti-inversion. ... | 2212.06403v1 |
2022-12-20 | Numerical modeling of pulverized iron flames in a multidimensional hot counterflow burner | Pulverized iron flames stabilized in a multidimensional hot counterflow
burner are simulated using a numerical model, which is extended from the
state-of-the-art model developed by Hazenberg and van Oijen (PCI, 2021)
considering unsteady effects. The results are compared to available
experimental data (McRae et al., PC... | 2212.10226v1 |
2023-02-27 | Searching for iron nanoparticles with a general-purpose Gaussian approximation potential | We present a general-purpose machine learning Gaussian approximation
potential (GAP) for iron that is applicable to all bulk crystal structures
found experimentally under diverse thermodynamic conditions, as well as
surfaces and nanoparticles (NPs). By studying its phase diagram, we show that
our GAP remains stable at ... | 2302.13722v2 |
2023-03-07 | The potential of retrofitting existing coal power plants: a case study for operation with green iron | Storing electrical energy for long periods and transporting it over long
distances is an essential task of the necessary transition to a CO$_2$-free
energy economy. An oxidation-reduction cycle based on iron and its oxides
represents a very promising technology in this regard. The present work
assesses the potential of... | 2303.04000v2 |
2023-04-14 | Performance of TES X-Ray Microcalorimeters Designed for 14.4-keV Solar Axion Search | A 57Fe nucleus in the solar core could emit a 14.4-keV monochromatic axion
through the M1 transition if a hypothetical elementary particle, axion, exists
to solve the strong CP problem. Transition edge sensor (TES) X-ray
microcalorimeters can detect such axions very efficiently if they are again
converted into photons ... | 2304.07068v2 |
2023-04-10 | Pourable and Destroyable Cosmic Ray Radiation Shield for Spacecraft | Historically, materials such as lead, tungsten, and iron have been used in
spacecraft to shield scientific detectors from Cosmic Rays. These materials
work well when reentry to Earth is not an issue. The typical strategy is to
have a controlled descent of the spacecraft or to have extremely limited
shielding, if any, d... | 2304.09177v1 |
2023-04-19 | Fabrication of a 64-Pixel TES Microcalorimeter Array with Iron Absorbers Uniquely Designed for 14.4-keV Solar Axion Search | If a hypothetical elementary particle called an axion exists, to solve the
strong CP problem, a 57Fe nucleus in the solar core could emit a 14.4-keV
monochromatic axion through the M1 transition. If such axions are once more
transformed into photons by a 57Fe absorber, a transition edge sensor (TES)
X-ray microcalorime... | 2304.09539v1 |
2023-09-22 | Decoding 122-Type Iron-Based Superconductors: A Comprehensive Simulation of Phase Diagrams and Transition Temperatures | Iron-based superconductors, a cornerstone of low-temperature physics, have
been the subject of numerous theoretical models aimed at deciphering their
complex behavior. In this study, we present a comprehensive approach that
amalgamates several existing models and incorporates experimental data to
simulate the supercond... | 2309.12615v1 |
2023-10-09 | Detecting Iron Oxidation States in Liquids with the VOXES Bragg Spectrometer | Determining the oxidation states of metals assumes great importance in
various applications because a variation in the oxidation number can
drastically influence the material properties. As an example, this becomes
evident in edible liquids like wine and oil, where a change in the oxidation
states of the contained meta... | 2310.06062v1 |
2024-03-05 | Elemental abundances in the diffuse ISM from joint FUV and X-ray spectroscopy: iron, oxygen, carbon and sulfur | In this study, we investigate interstellar absorption lines along the line of
sight toward the galactic low-mass X-ray binary Cygnus X-2. We combine
absorption line data obtained from high-resolution X-ray spectra collected with
Chandra and XMM-Newton satellites, along with Far-UV absorption lines observed
by the Hubbl... | 2403.02664v1 |
1999-07-06 | Hysteresis properties at zero temperature in the Dipolar-Random Field Ising Model | We present a modified two-dimensional random field Ising model, where a
dipolar interaction term is added to the classic random field Hamiltonian. In a
similar model it was already verified that the system state can exhibit domains
in the form of stripe patterns, typical of thin materials with strong
perpendicular anis... | 9907074v1 |
2000-03-21 | Field induced ordering in highly frustrated antiferromagnets | We predict that an external field can induce a spin order in highly
frustrated classical Heisenberg magnets. We find analytically stabilization of
collinear states by thermal fluctuations at a one-third of the saturation field
for kagome and garnet lattices and at a half of the saturation field for
pyrochlore and frust... | 0003343v2 |
2001-10-10 | Modeling Two Dimensional Magnetic Domain Patterns | Two-dimensional magnetic garnets exhibit complex and fascinating magnetic
domain structures, like stripes, labyrinths, cells and mixed states of stripes
and cells. These patterns do change in a reversible way when the intensity of
an externally applied magnetic field is varied. The main objective of this
contribution i... | 0110208v1 |
2003-07-28 | Low temperature spin fluctuations in geometrically frustrated Yb3Ga5O12 | In the garnet structure compound Yb3Ga5O12, the Yb3+ ions (ground state
effective spin S' = 1/2) are situated on two interpenetrating corner sharing
triangular sublattices such that frustrated magnetic interactions are possible.
Previous specific heat measurements evidenced the development of short range
magnetic corre... | 0307676v1 |
2006-06-05 | Multireference Correlation in Long Molecules with the Quadratic Scaling Density Matrix Renormalization Group | We have devised and implemented a local ab initio Density Matrix
Renormalization Group (DMRG) algorithm to describe multireference nondynamic
correlations in large systems. For long molecules that are extended in one of
their spatial dimensions, this method allows us to obtain an exact
characterisation of correlation, ... | 0606115v3 |
2004-05-10 | Manifestations of nuclear anapole moments in solid state NMR | We suggest to use insulating garnets doped by rare earth ions for
measurements of nuclear anapole moments. A parity violating shift of the NMR
frequency arises due to the combined effect of the lattice crystal field and
the anapole moment of the rare-earth nucleus.
We show that there are two different observable effe... | 0405043v1 |
2006-06-22 | Band Edge Effects and Normal Mode Propagation in Waveguide Magnetophotonic Crystals | A study of band edge phenomena in ridge waveguide magnetophotonic crystals is
presented. Normal mode analysis is used to examine the near-band edge and Bragg
center-wavelength group velocities and their relation to the polarization.
Large polarization departures from the input are observed in Bragg gratings
patterned b... | 0606199v2 |
1996-02-08 | Supersymmetry and the Hartmann Potential of Theoretical Chemistry | The ring-shaped Hartmann potential $ V = \eta \sigma^{2} \epsilon_{0} \left(
\frac{2 a_{0}}{r} - \frac{\eta a_{0}^{2}}{r^{2} sin^{2} \theta} \right) $ was
introduced in quantum chemistry to describe ring-shaped molecules like benzene.
In this article, the supersymmetric features of the Hartmann potential are
discussed.... | 9602005v1 |
2002-08-01 | Entwined Paths, Difference Equations and the Dirac Equation | Entwined space-time paths are bound pairs of trajectories which are traversed
in opposite directions with respect to macroscopic time. In this paper we show
that ensembles of entwined paths on a discrete space-time lattice are simply
described by coupled difference equations which are discrete versions of the
Dirac equ... | 0208004v2 |
2007-07-20 | The radical character of the acenes: A density matrix renormalization group study | We present a detailed investigation of the acene series using high-level
wavefunction theory. Our ab-initio Density Matrix Renormalization Group
algorithm has enabled us to carry out Complete Active Space calculations on the
acenes from napthalene to dodecacene correlating the full pi-valence space.
While we find tha... | 0707.3120v1 |
2007-07-20 | Targeted Excited State Algorithms | To overcome the limitations of the traditional state-averaging approaches in
excited state calculations, where one solves for and represents all states
between the ground state and excited state of interest, we have investigated a
number of new excited state algorithms. Building on the work of van der Vorst
and Sleijpe... | 0707.3121v1 |
2007-10-23 | Structural relaxation around substitutional Cr3+ in pyrope garnet | The structural environment of substitutional Cr3+ ion in a natural pyrope
Mg3Al2Si3O12 has been investigated by Cr K-edge Extended X-ray Absorption Fine
Structure (EXAFS) and X-ray Absorption Near Edge Structure (XANES) coupled with
first-principles computations. The Cr-O distance is close to that in
knorringite Mg3Cr2... | 0710.4189v1 |
2007-11-09 | An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry | The Density Matrix Renormalisation Group (DMRG) is an electronic structure
method that has recently been applied to ab-initio quantum chemistry. Even at
this early stage, it has enabled the solution of many problems that would
previously have been intractable with any other method, in particular,
multireference problem... | 0711.1398v1 |
2007-12-14 | Orbital Optimization in the Density Matrix Renormalization Group, with applications to polyenes and β-carotene | In previous work we have shown that the Density Matrix Renormalization Group
(DMRG) enables near-exact calculations in active spaces much larger than are
possible with traditional Complete Active Space algorithms. Here, we implement
orbital optimisation with the Density Matrix Renormalization Group to further
allow the... | 0712.2475v2 |
2008-06-03 | Site symmetry and crystal symmetry: a spherical tensor analysis | The relation between the properties of a specific crystallographic site and
the properties of the full crystal is discussed by using spherical tensors. The
concept of spherical tensors is introduced and the way it transforms under the
symmetry operations of the site and from site to site is described in detail.
The law... | 0806.0438v1 |
2009-07-27 | Approximating strongly correlated spin and fermion wavefunctions with correlator product states | We explore correlator product states for the approximation of correlated
wavefunctions in arbitrary dimensions. We show that they encompass many
interesting states including Laughlin's quantum Hall wavefunction, Huse and
Elser's frustrated spin states, and Kitaev's toric code. We further establish
their relation to com... | 0907.4646v3 |
2010-02-27 | Embedding theory for excited states with inclusion of self-consistent environment screening | We present a general embedding theory of electronic excitations of a
relatively small, localized system in contact with an extended, chemically
complex environment. We demonstrate how to include the screening response of
the environment into highly accurate electronic structure calculation of the
localized system by me... | 1003.0102v1 |
2010-05-15 | Coupling between magnon and ligand-field excitations in magnetoelectric Tb3Fe5O12 garnet | The spectra of far-infrared transmission in Tb3Fe5O12 magnetoelectric single
crystals have been studied in the range between 15 and 100 cm-1, in magnetic
fields up to 10 T, and for temperatures between 5 and 150 K. We attribute some
of the observed infrared-active excitations to electric-dipole transitions
between liga... | 1005.2705v1 |
2010-08-29 | Tensor factorizations of local second-order Møller Plesset theory | Efficient electronic structure methods can be built around efficient tensor
representations of the wavefunction. Here we describe a general view of tensor
factorization for the compact representation of electronic wavefunctions. We
use these ideas to construct low-complexity representations of the doubles
amplitudes in... | 1008.4943v1 |
2010-08-29 | Further developments in correlator product states: deterministic optimization and energy evaluation | Correlator product states (CPS) are a class of tensor network wavefunctions
applicable to strongly correlated problems in arbitrary dimensions. Here, we
present a method for optimizing and evaluating the energy of the CPS
wavefunction that is non-variational but entirely deterministic. The
fundamental assumption underl... | 1008.4945v1 |
2010-12-16 | Dynamical mean-field theory from a quantum chemical perspective | We investigate the dynamical mean-field theory (DMFT) from a quantum chemical
perspective. Dynamical mean-field theory offers a formalism to extend quantum
chemical methods for finite systems to infinite periodic problems within a
local correlation approximation. In addition, quantum chemical techniques can
be used to ... | 1012.3609v1 |
2011-01-18 | Uniform Peak Optical Conductivity in Single-Walled Carbon Nanotubes | Recent measurements in single-walled carbon nanotubes show that, on
resonance, all nanotubes display the same peak optical conductivity of
approximately 8 $e^2/h$, independent of radius or chirality [Joh \emph{et al.},
\emph{Nature Nanotechnology} \textbf{6}, 51 (2011)]. We show that this uniform
peak conductivity is a... | 1101.3546v1 |
2011-04-22 | New Experimental Limit on the Electric Dipole Moment of the Electron in a Paramagnetic Insulator | We report results of an experimental search for the intrinsic Electric Dipole
Moment (EDM) of the electron using a solid-state technique. The experiment
employs a paramagnetic, insulating gadolinium gallium garnet (GGG) that has a
large magnetic response at low temperatures. The presence of the eEDM would
lead to a sma... | 1104.4391v2 |
2012-03-30 | A correlator product state study of molecular magnetism in the giant Keplerate Mo72Fe30 | We have studied the properties of the giant Keplerate molecular magnet
Mo72Fe30, as a function of applied magnetic field, using the correlator product
state (CPS) tensor network ansatz. The magnet is modeled with an S = 5/2
antiferromagnetic Heisenberg Hamiltonian on the 30-site icosidodecahedron
lattice, a model for w... | 1203.6883v1 |
2012-04-12 | Analytical modeling for the heat transfer in sheared flows of nanofluids | We developed a model for the enhancement of the heat flux by spherical and
elongated nano- particles in sheared laminar flows of nano-fluids. Besides the
heat flux carried by the nanoparticles the model accounts for the contribution
of their rotation to the heat flux inside and outside the particles. The
rotation of th... | 1204.2694v1 |
2012-04-25 | Density matrix embedding: A simple alternative to dynamical mean-field theory | We introduce DMET, a new quantum embedding theory for predicting ground-state
properties of infinite systems. Like dynamical mean-field theory (DMFT), DMET
maps the the bulk interacting system to a simpler impurity model and is exact
in the non-interacting and atomic limits. Unlike DMFT, DMET is formulated in
terms of ... | 1204.5783v2 |
2012-09-04 | Origin of the structural phase transition in Li7La3Zr2O12 | Garnet-type Li7La3Zr2O12 (LLZO) is a solid electrolyte material with a
low-conductivity tetragonal and a high-conductivity cubic phase. Using
density-functional theory and variable cell shape molecular dynamics
simulations, we show that the tetragonal phase stability is dependent on a
simultaneous ordering of the Li io... | 1209.0690v1 |
2012-10-04 | Striped spin liquid crystal ground state instability of kagome antiferromagnets | The Dirac spin liquid ground state of the spin 1/2 Heisenberg kagome
antiferromagnet has potential instabilities[1-4]. This has been suggested as
the reason why it is not strongly supported in large-scale numerical
calculations[5]. However, previous attempts to observe these instabilities have
failed. We report on the ... | 1210.1585v1 |
2012-10-05 | Excited States, Dynamic Correlation Functions and Spectral Properties from Full Configuration Interaction Quantum Monte Carlo | In this communication, we propose a method for obtaining isolated excited
states within the Full Configuration Interaction Quantum Monte Carlo framework.
This method allows for stable sampling with respect to collapse to lower energy
states and requires no uncontrolled approximations. In contrast with most
previous met... | 1210.1650v1 |
2012-11-05 | Exact asymptotic behavior of magnetic stripe domain arrays | The classical problem of magnetic stripe domain behavior in films and plates
with uniaxial magnetic anisotropy is treated. Exact analytical results are
derived for the stripe domain widths as function of applied perpendicular
field, $H$, in the regime where the domain period becomes large. The stripe
period diverges as... | 1211.1366v1 |
2012-12-12 | Density matrix embedding: A strong-coupling quantum embedding theory | We extend our density matrix embedding theory (DMET) [Phys. Rev. Lett. 109
186404 (2012)] from lattice models to the full chemical Hamiltonian. DMET
allows the many-body embedding of arbitrary fragments of a quantum system, even
when such fragments are open systems and strongly coupled to their environment
(e.g., by co... | 1212.2679v1 |
2013-04-15 | Off-policy Learning with Eligibility Traces: A Survey | In the framework of Markov Decision Processes, off-policy learning, that is
the problem of learning a linear approximation of the value function of some
fixed policy from one trajectory possibly generated by some other policy. We
briefly review on-policy learning algorithms of the literature (gradient-based
and least-s... | 1304.3999v1 |
2013-12-11 | Cs2NaAl1-xCrxF6: A family of compounds presenting magnetocaloric effect | In this paper we explore the magnetocaloric effect (MCE) of chromium-doped
elpasolite Cs$_2$NaAl$_{1-x}$Cr$_x$F$_6$ (x = 0.01 and 0.62) single crystals.
Our magnetization and heat capacity data show the magnetocaloric potentials to
be comparable to those of garnets, perovskites and other fluorides, producing
magnetic e... | 1312.3014v2 |
2014-05-04 | Quasi-three-level laser emission of neodymium doped disordered crystal waveguides | This paper reports on the quasi-three-level continuous wave laser operation
based on waveguide structures in neodymium doped calcium niobium gallium garnet
disordered crystal. Laser wavelength selection through the waveguide cross
section was observed. Waveguide structures with different cross sections were
fabricated ... | 1405.0704v1 |
2014-08-21 | A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states | We describe a formulation of multi-reference perturbation theory that obtains
a rigorous upper bound to the second order energy by minimizing the Hylleraas
functional in the space of matrix product states (MPS). The first order
wavefunctions so obtained can also be used to compute the third order energy
with little ove... | 1408.5092v1 |
2014-10-26 | Twisted Conjugacy in Houghton's groups | For a fixed $n\ge2$, the Houghton group $H_n$ consists of bijections of
$X_n=\{1,\ldots,n\} \times \mathbb{N}$ that are `eventually translations' of
each copy of $\mathbb{N}$. The Houghton groups have been shown to have solvable
conjugacy problem. In general solvable conjugacy problem does not imply that
all finite ext... | 1410.7051v6 |
2014-11-01 | A transformed framework for dynamic correlation in multireference problems | We describe how multirefence dynamic correlation theories can be naturally
obtained as single-reference correlation theories in a canonically transformed
frame. Such canonically transformed correlation theories are very simple and
involve identical expressions to their single-reference counterparts. The
corresponding e... | 1411.0067v4 |
2015-01-14 | Dispersionless spin waves in Gadolinium Gallium Garnet | We report the results of neutron scattering on a powder sample of Gd3Ga5O12
at high magnetic fields. We find that in high fields (B>1.8 T) the system is
not fully polarized, but has a small canting of the moments induced by the
dipolar interaction. We show that the degree of canting is accurately predicted
by the stand... | 1501.03493v1 |
2015-01-28 | Interplay of disorder and geometrical frustration in doped Gadolinium Gallium Garnet | The geometrically-frustrated, triangular antiferromagnet GGG exhibits a rich
mix of short-range order and isolated quantum states. We investigate the
effects of up to 1% Neodymium substitution for Gallium on the ac magnetic
response at temperatures below 1 K in both the linear and nonlinear regimes.
Substitutional diso... | 1501.07229v1 |
2015-04-02 | Search for exotic short-range interactions using paramagnetic insulators | We describe a proposed experimental search for exotic spin-coupled
interactions using a solid-state paramagnetic insulator. The experiment is
sensitive to the net magnetization induced by the exotic interaction between
the unpaired insulator electrons with a dense, non-magnetic mass in close
proximity. An existing expe... | 1504.00552v2 |
2015-04-08 | Ground-state phase diagram of the square lattice Hubbard model from density matrix embedding theory | We compute the ground-state phase diagram of the Hubbard and frustrated
Hubbard models on the square lattice with density matrix embedding theory using
clusters of up to 16 sites. We provide an error model to estimate the
reliability of the computations and complexity of the physics at different
points in the diagram. ... | 1504.01784v3 |
2015-07-07 | Fast and rewritable colloidal assembly via field synchronized particle swapping | We report a technique to realize reconfigurable colloidal crystals by using
the controlled motion of particle defects above an externally modulated
magnetic substrate. The transport of particles is induced by applying a uniform
rotating magnetic field to a ferrite garnet film characterized by a periodic
lattice of magn... | 1507.01964v1 |
2015-12-14 | Spectral Functions of the Uniform Electron Gas via Coupled-Cluster Theory and Comparison to the $GW$ and Related Approximations | We use, for the first time, ab initio coupled-cluster theory to compute the
spectral function of the uniform electron gas at a Wigner-Seitz radius of
$r_\mathrm{s}=4$. The coupled-cluster approximations we employ go significantly
beyond the diagrammatic content of state-of-the-art $GW$ theory. We compare our
calculatio... | 1512.04556v2 |
2015-12-26 | N-electron valence state perturbation theory based on a density matrix renormalization group reference function, with applications to the chromium dimer and poly-p-phenylene vinylene oligomer | The strongly-contracted variant of second order N -electron valence state
perturbation theory (NEVPT2) is an efficient perturbative method to treat
dynamic correlation without the problems of intruder states or level shifts,
while the density matrix renormalization group (DMRG) provides the capability
to tackle static ... | 1512.08137v4 |
2016-03-21 | Hybrid graphene/silicon integrated optical isolators with photonic spin-orbit interaction | Optical isolators are an important building block in photonic computation and
communication. In traditional optics, isolators are realized with
magneto-optical garnets. However, it remains challenging to incorporate such
materials on an integrated platform because of the difficulty in material
growth and bulky device f... | 1603.06332v1 |
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