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47
2006-03-08
Curie temperature control by band parameters tuning in Pb(1-x-y-z)Mn(x)Sn(y)Eu(z)Te
We present the study of magnetic and transport properties of Pb(1-x-y-z)Mn(x)Sn(y)Eu(z)Te. AC magnetic susceptibility measurements as well as transport characterization were performed. The obtained results indicate that the presence of two types of magnetic ions influences magnetic properties of investigated IV-VI semi...
0603196v1
2006-03-10
Prediction of new crystal structure phases in metal borides: a lithium monoboride analog to MgB2
Modern compound prediction methods can efficiently screen large numbers of crystal structure phases and direct the experimental search for new materials. One of the most challenging problems in alloy theory is the identification of stable phases with a never seen prototype; such predictions do not always follow rationa...
0603304v2
2006-03-21
The Influence of Synthesis Parameters on Microstructures and Superconducting Properties of MgB2 Bulks
We succeeded in the synthesis of high-Jc MgB2 bulks via high energy ball-milling of elemental Mg and B powder at ambient temperatures. Alternatively to longtime mechanical alloying technique, the mixed powder was ball-milled for only 1h and the completed reaction is achieved by subsequent annealing. The correlations am...
0603536v2
2006-03-23
Charge Order in the Falicov-Kimball Model
We examine the spinless one-dimensional Falicov-Kimball model (FKM) below half-filling, addressing both the binary alloy and valence transition interpretations of the model. Using a non-perturbative technique, we derive an effective Hamiltonian for the occupation of the localized orbitals, providing a comprehensive des...
0603628v1
2006-03-28
Composition and temperature dependence of the thermoelectric power of Ni$_{2+x}$Mn$_{1-x}$Ga alloys
The thermoelectric power (TEP) measurements have been carried out to investigate the changes in the electronic structure associated with the intermartensitic and martensitic transitions in Ni$_{2+x}$Mn$_{1-x}$Ga (0 $\le$ x $\le$ 0.19). The samples have been characterized by a.c. magnetic susceptibility measurements. Th...
0603752v3
2006-03-29
Resistivity and Magneto-Optical Evidence for Variable and Incomplete Connectivity in Dense, High Critical Current Density C-alloyed Magnesium Diboride
Carbon-doped magnesium diboride was fabricated from pre-reacted pure MgB2 by mechanical alloying. The sample set had excellent critical current densities Jc(8T,4.2K) ranging from 15-60 kA/cm2, depending on composition. Magneto-optical imaging detected regions up to 0.5 mm in size which were nearly 100% dense with Jc 2-...
0603800v1
2006-04-02
The semiconductor-to-ferromagnetic-metal transition in FeSb2
We propose FeSb2 to be a nearly ferromagnetic small gap semiconductor, hence a direct analog of FeSi. We find that despite different compositions and crystal structures, in the local density approximation with on-site Coulomb repulsion correction (LDA+U) method magnetic and semiconducting solutions for U=2.6 eV are ene...
0604020v2
2006-04-05
Critical behavior of the random-anisotropy model in the strong-anisotropy limit
We investigate the nature of the critical behavior of the random-anisotropy Heisenberg model (RAM), which describes a magnetic system with random uniaxial single-site anisotropy, such as some amorphous alloys of rare earths and transition metals. In particular, we consider the strong-anisotropy limit (SRAM), in which t...
0604124v2
2006-04-06
Correlated and uncorrelated nanoscale heterogeneities in L1_0 solid solutions and their signatures from local and extended probes
The phase coexistence of chemically ordered L1_0 and chemically disordered structures within binary alloys is investigated, using the NiMn system as an example. Theoretical and numerical predictions of the signatures one might expect in data from local and extended probes are presented, in an attempt to explain the pre...
0604188v1
2006-06-13
Phase Separation and the Phase Diagram in Cuprates Superconductors
We show that the main features of the cuprates superconductors phase diagram can be derived considering the disorder as a key property of these materials. Our basic point is that the high pseudogap line is an onset of phase separation which generates compounds made up of regions with distinct doping levels. We calculat...
0606307v1
2006-06-13
Fermi-liquid instabilities at magnetic quantum phase transitions
This review discusses instabilities of the Fermi-liquid state of conduction electrons in metals with particular emphasis on magnetic quantum critical points. Both the existing theoretical concepts and experimental data on selected materials are presented; with the aim of assessing the validity of presently available th...
0606317v3
2006-06-28
Mechanical alloying of Cu and Fe induced by severe plastic deformation of a Cu-Fe composite
A filamentary composite elaborated by cold drawing was processed by High Pressure Torsion (HPT). The nanostructure resulting from this severe plastic deformation (SPD) was investigated thanks to scanning electron microscopy, transmission electron microscopy, X-ray diffraction and 3D atom probe. Although the mutual solu...
0606723v1
2006-07-04
Influence of the driving mechanism on the response of systems with athermal dynamics: the example of the random-field Ising model
We investigate the influence of the driving mechanism on the hysteretic response of systems with athermal dynamics. In the framework of local-mean field theory at finite temperature (but neglecting thermallly activated processes), we compare the rate-independent hysteresis loops obtained in the random field Ising model...
0607069v1
2006-07-06
Spheroidal Particle Stability in Semi-Solid Processing
A model for diffusion-controlled spherical particle growth is presented and solved numerically, showing how, on cooling at sufficient rate from a given fraction solid, growth velocity first increases, and then decreases rapidly when solute fields of adjacent particles overlap. An approximate analytical solution for the...
0607148v1
2006-07-10
Influence of Preparation Process on Microstructure, Critical Current Density and Tc of MgB2/Fe/Cu Wires
The powder-in-tube MgB2 wires were prepared by high energy milling of Mg and B powder. The powder was not mechanically alloyed for 2h short milling time. However, the MgB2 grains in wires are very small (20 100nm) and resembled to the dimple after post-heat treatment. The clear evidence for transcrystlline fracture is ...
0607223v1
2006-07-11
Effect of lattice mismatch-induced strains on coupled diffusive and displacive phase transformations
Materials which can undergo slow diffusive transformations as well as fast displacive transformations are studied using the phase-field method. The model captures the essential features of the time-temperature-transformation (TTT) diagrams, continuous cooling transformation (CCT) diagrams, and microstructure formation ...
0607276v2
2006-07-22
Superconducting properties of nanocrystalline MgB$_2$
Nanocrystalline MgB$_2$ produced by mechanical alloying has been shown to exhibit enhanced superconducting properties such as increased pinning and higher critical currents. However, the effects of the synthesis process on the intrinsic superconducting properties have not been addressed yet. We have investigated the su...
0607578v1
2006-07-27
Probing multiferroicity and spin-spin interactions via dielectric measurements on Y-doped HoMnO$_{3}$ in high magnetic fields
The magnetic field dependent phase diagram of the ferroelectric material ${\rm Ho}_{1-x}Y_{x}MnO_{3}$ has been investigated for x = 0, 0.6, and 0.8 for fields directed along both the ab in-plane and c-axis basal plane directions. Dielectric measurements are used to map out the re-entrant temperature-magnetic field phas...
0607742v1
2006-07-31
Localization in 2D Quantum percolation
Quantum site percolation as a limiting case of binary alloy is studied numerically in 2D within the tight-binding model. We address the transport properties in all regimes - ballistic, diffusive (metallic), localized and crossover between the latter two. Special attention is given to the region close to the conduction ...
0607818v2
2006-08-07
Polarization-induced Rashba spin-orbit coupling in structurally symmetric III-Nitride quantum wells
The effective linear coupling coefficient and the total spin-splitting are calculated in Ga- and N- face InGaN quantum wells. Alloy content, geometry, and gate voltage affect an internal field and an electron density distribution in the growth direction that has direct effect on a spin-splitting. The sign of structural...
0608179v1
2006-08-14
Tricritical Phenomena at the Cerium $γ\to α$ Transition
The $\gamma \to \alpha$ isostructural transition in the Ce$_{0.9-x}$La$_x$Th$_{0.1}$ system is measured as a function of La alloying using specific heat, magnetic susceptibility, resistivity, thermal expansivity/striction measurements. A line of discontinuous transitions, as indicated by the change in volume, decreases...
0608301v1
2006-08-15
Feedback control of unstable cellular solidification fronts
We present a numerical and experimental study of feedback control of unstable cellular patterns in directional solidification (DS). The sample, a dilute binary alloy, solidifies in a 2D geometry under a control scheme which applies local heating close to the cell tips which protrude ahead of the other. For the experime...
0608331v1
2006-08-23
Electronic and optical properties of beryllium chalcogenides/silicon heterostructures
We have calculated electronic and optical properties of Si/BeSe$_{0.41}$Te$_{0.59}$ heterostructures by a semiempirical $sp^{3}s^{*}$ tight-binding method. Tight-binding parameters and band bowing of BeSe$_{0.41}$Te$_{0.59}$ are considered through a recent model for highly mismatched semiconductor alloys. The band bowi...
0608514v1
2006-08-24
Heat conduction of single-walled carbon nanotube isotope-superlattice structures: A molecular dynamics study
Heat conduction of single-walled carbon nanotubes (SWNTs) isotope-superlattice is investigated by means of classical molecular dynamics simulations. Superlattice structures were formed by alternately connecting SWNTs with different masses. On varying the superlattice period, the critical value with minimum effective th...
0608525v1
2006-08-24
Observation of standard spin-switch effects in F/S/F trilayers with a strong ferromagnet
We have measured the superconducting transition temperature T_c of F/S/F trilayers using Permalloy (Py=Ni_84 Fe_16) as a strongly polarized ferromagnetic material. For a parallel (P) or anti-parallel (AP) alignment of the magnetization directions of the outer ferromagnets, we observe a T_c difference as large as 20 mK,...
0608545v1
2006-08-30
Atmospheric conditions and their effect on ball-milled magnesium diboride
Magnesium diboride bulk pellets were fabricated from pre-reacted MgB2 powder ball milled with different amounts of exposure to air. Evidence of increased electron scattering including increased resistivity, depressed Tc, and enhanced Hc2 of the milled and heat treated samples were observed as a result of increased cont...
0608692v1
2006-09-05
Dephasing of conduction electrons by magnetic impurities in Cu/Ni and Cu/Cr samples: Influence of spin-glass transition on the superconducting proximity effect
The dependence of the superconducting proximity effect on the amount of magnetic impurities in the normal part of Andreev interferometers has been studied experimentally. The dephasing rates obtained from fitting experimental data to quasiclassical theory of the proximity effect are consistent with the spin flip scatte...
0609095v1
2006-09-06
The chiral Anomalous Hall effect in re-entrant AuFe alloys
The Hall effect has been studied in a series of AuFe samples in the re-entrant concentration range, as well as in part of the spin glass range. An anomalous Hall contribution linked to the tilting of the local spins can be identified, confirming theoretical predictions of a novel topological Hall term induced when chir...
0609124v2
2006-09-07
Mn-doped Ga(As,P) and (Al,Ga)As ferromagnetic semiconductors
A remarkable progress towards functional ferromagnetic semiconductor materials for spintronics has been achieved in p-type (Ga,Mn)As. Robust hole-mediated ferromagnetism has, however, been observed also in other III-V hosts such as antimonides, GaP or (Al,Ga)As which opens a wide area of possibilities for optimizing th...
0609158v1
2006-11-05
High energy, high resolution photoelectron spectroscopy of Co2Mn(1-x)Fe(x)Si
This work reports on high resolution photoelectron spectroscopy for the valence band of Co2Mn(1-x)Fe(x)Si (x=0,0.5,1) excited by photons of about 8 keV energy. The measurements show a good agreement to calculations of the electronic structure using the LDA+U scheme. It is shown that the high energy spectra reveal the b...
0611120v1
2006-11-09
Local Atomic Structure of Martensitic Ni$_{2+x}$Mn$_{1-x}$Ga: An EXAFS Study
The local atomic structure of Ni$_{2+x}$Mn$_{1-x}$Ga with 0 $\le$ $x$ $\le$ 0.16 alloys was explored using Mn and Ga K-edge Extended X-ray Absorption Fine Structure (EXAFS) measurement. Inorder to study the atomic re-arrangements that occur upon martensitic transformation, room temperature and low temperature EXAFS wer...
0611237v1
2007-01-04
Controlling crystallization and its absence: Proteins, colloids and patchy models
The ability to control the crystallization behaviour (including its absence) of particles, be they biomolecules such as globular proteins, inorganic colloids, nanoparticles, or metal atoms in an alloy, is of both fundamental and technological importance. Much can be learnt from the exquisite control that biological sys...
0701074v1
2007-01-30
Thermodynamic Theory of Sintering and Swelling
The General Thermodynamic Theory of Sintering, formulated by the author in 1998 is given. This theory is applied to the problem of swelling of materials under conditions of radiation. Driving forces, caused by the presence of the evolution of heat in the volume of a sample (electric contact, hf, inductive heating or pe...
0701743v1
2007-02-04
Studying Thermodynamics of Metastable States
Simple classical thermodynamic approach to the general description of metastable states is presented. It makes possible to calculate the explicit dependence of the Gibbs free energy on temperature, to calculate the heat capacity, the thermodynamic barrier, dividing metastable and more stable states, and the thermal exp...
0702076v1
2007-03-16
Best-Fit Ellipsoids of Atom-Probe Tomographic Data to Study Coalescence of Gamma Prime (L1_2) Precipitates in Ni-Al-Cr
An algorithm is presented to fit precipitates in atom probe tomographic data sets as equivalent ellipsoids. Unlike previous techniques, which measure only the radius of gyration, these ellipsoids retain the moments of inertia and principle axes of the original precipitate, preserving crystallographic orientational info...
0703452v2
2007-03-19
X-ray magnetic circular dichroism characterization of GaN/Ga1-xMnxN digital ferromagnetic heterostructure
We have investigated the magnetic properties of a GaN/Ga1-xMnxN (x = 0.1) digital ferromagnetic heterostructure (DFH) showing ferromagnetic behavior using soft x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD). The Mn L2,3-edge XAS spectra were similar to those of Ga1-xMnxN random alloy t...
0703477v3
2007-03-20
Steric quenching of the switchable mirror effect Phys. Rev. B 75, 104109 (2007)
Scandium was substituted for yttrium to observe the effect of unit cell size on the optical metal-to-insulator (MIT) transition in the Y_(1-z)Sc_(z)H_(x) alloy system. The optical transmittance decreases significantly for z>0.10. Simultaneous electrical resistivity measurements confirm the transition from trihydride to...
0703521v1
2007-02-28
Numerical Model For Vibration Damping Resulting From the First Order Phase Transformations
A numerical model is constructed for modelling macroscale damping effects induced by the first order martensite phase transformations in a shape memory alloy rod. The model is constructed on the basis of the modified Landau-Ginzburg theory that couples nonlinear mechanical and thermal fields. The free energy function f...
0702172v1
1993-06-03
Elastic anomaly of heavy fermion systems in a crystalline field
An elastic anomaly, observed in the heavy fermi liquid state of Ce alloys (for example, CeCu$_6$ and CeTe), is analyzed by using the infinite-$U$ Anderson lattice model. The four atomic energy levels are assumed for f-electrons. Two of them are mutually degenerate. A small crystalline splitting $2\Delta$ is assumed bet...
9306004v1
2001-09-24
Structure of Binary Sequences
The distribution of a given sequence in the set of all sequences with n ones and m = M - n zeros are found by relating the problem to the partitions of a natural number in m natural summands, taking into account the order. The formulas obtained have many applications both in Physics and Mathematics. Examples discussed ...
0109182v1
2003-05-01
Analysis of energetic models for rate-independent materials
We consider rate-independent models which are defined via two functionals: the time-dependent energy-storage functional $\calI:[0,T]\ti X\to [0,\infty]$ and the dissipation distance $\calD:X\ti X\to[0,\infty]$. A function $z:[0,T]\to X$ is called a solution of the {energetic model}, if for all $0\leq s<t\leq T$ we have...
0305014v1
2003-07-29
Integrated density of states and Wegner estimates for random Schrödinger Operators
We survey recent results on spectral properties of random Schr\"odinger operators. The focus is set on the integrated density of states (IDS). First we present a proof of the existence of a self-averaging IDS which is general enough to be applicable to random Schr\"odinger and Laplace-Beltrami operators on manifolds. S...
0307062v2
2003-10-17
Lifshits tails caused by anisotropic decay: the emergence of a quantum-classical regime
We investigate Lifshits-tail behaviour of the integrated density of states for a wide class of Schr\"odinger operators with positive random potentials. The setting includes alloy-type and Poissonian random potentials. The considered (single-site) impurity potentials $f: \mathbbm{R}^d \to [0, \infty[ $ decay at infinity...
0310033v2
2004-12-21
Bounds on the spectral shift function and the density of states
We study spectra of Schr\"odinger operators on $\RR^d$. First we consider a pair of operators which differ by a compactly supported potential, as well as the corresponding semigroups. We prove almost exponential decay of the singular values $\mu_n$ of the difference of the semigroups as $n\to \infty$ and deduce bounds ...
0412078v1
2005-10-17
Wegner Estimate for Indefinite Anderson Potentials: Some Recent Results and Applications
We review recent and give some new results on the spectral properties of Schroedinger operators with a random potential of alloy type. Our point of interest is the so called Wegner estimate in the case where the single site potentials change sign. The indefinitness of the single site potential poses certain difficultie...
0510061v1
1995-06-29
Spin-polarization-induced structural selectivity in Pd$_3X$ and Pt$_3X$ ($X=3d$) compounds
Spin-polarization is known to lead to important {\it magnetic} and {\it optical} effects in open-shell atoms and elemental solids, but has rarely been implicated in controlling {\it structural} selectivity in compounds and alloys. Here we show that spin-polarized electronic structure calculations are crucial for predic...
9506007v1
1995-10-02
Composition Dependence of the Structure and Electronic Properties of Liquid Ga-Se Alloys Studied by Ab Initio Molecular Dynamics Simulation
Ab initio molecular dynamics simulation is used to study the structure and electronic properties of the liquid Ga-Se system at the three compositions Ga$_2$Se, GaSe and Ga$_2$Se$_3$, and of the GaSe and Ga$_2$Se$_3$ crystals. The calculated equilibrium structure of GaSe crystal agrees well with available experimental d...
9510001v1
1996-03-04
Density functional theory study of Na at Al(111) and O at Ru(0001)
The success of density functional theory for the description of the adsorption of atoms on surfaces is well established, and based on recent calculations using gradient corrections, it has been shown that it also describes well the dissociative adsorption of molecules at surfaces - admittedly however, the data base for...
9603001v1
1996-05-08
Anomalies in He atom scattering spectra of the H-covered Mo(110) and W(110) surfaces
Helium atom scattering (HAS) studies of the H-covered Mo(110) and W(110) surfaces reveal a twofold anomaly in the respective dispersion curves. In order to explain this unusual behavior we performed density-functional theory calculations of the atomic and electronic structure, the vibrational properties, and the electr...
9605002v1
1996-08-02
Ab-initio study of the anomalies in the He atom scattering spectra of H/Mo(110) and H/W(110)
Helium atom scattering (HAS) studies of the H-covered Mo(110) and W(110) surfaces reveal a twofold anomaly in the respective dispersion curves. In order to explain this unusual behavior we performed density functional theory calculations of the atomic and electronic structure, the vibrational properties, and the spectr...
9608002v1
1997-10-08
Electrode thickness measurement of a Si(Li) detector for the SIXA array
Cathode electrodes of the Si(Li) detector elements of the SIXA X-ray spectrometer array are formed by gold-palladium alloy contact layers. The equivalent thickness of gold in one element was measured by observing the characteristic L-shell X-rays of gold excited by monochromatised synchrotron radiation with photon ener...
9710009v1
2001-10-27
Sucrose Solutions as Prospective Medium to Study the Vesicle Structure: SAXS and SANS study
The possibility to use sucrose solutions as medium for X-ray and neutron small-angle scattering experiments has been explored for dimyristoylphosphatidylcholine (DMPC) vesicles and mixed DMPC/C_(12)E_(8) aggregates. The influence of sucrose concentration on phospholipid vesicles size and polydispersity has been investi...
0110078v1
2004-11-02
Temperature dependent magnetic properties of FePt: effective spin Hamiltonian model
A model of magnetic interactions in the ordered ferromagnetic FePt is proposed on the basis of first-principles calculations of non-collinear magnetic configurations and shown to be capable of explaining recent measurements of magnetic anisotropy energy (MAE). The site (Fe,Pt) resolved contributions to the MAE have bee...
0411020v1
2005-05-24
Dependence of spontaneous emission rates of emitters on the refractive index of the surrounding medial
For emitters in a medium, different macroscopic or microscopic theoretical models predict substantially different dependencies of the spontaneous emission lifetime on refractive index. Various measurements have been carried out on Eu$^{3+}$, Ce$^{3+}$ and Nd$^{3+}$ ions, and quantum dots in different surrounding medial...
0505166v1
2006-01-26
The Effect of Gas Ion Bombardment on the Secondary Electron Yield of TiN, TiCN and TiZrV Coatings For Suppressing Collective Electron Effects in Storage Rings
In many accelerator storage rings running positively charged beams, ionization of residual gas and secondary electron emission (SEE) in the beam pipe will give rise to an electron cloud which can cause beam blow-up or loss of the circulating beam. A preventative measure that suppresses electron cloud formation is to en...
0601206v2
2006-10-24
Universal behavior of the electron g-factor in GaAs/AlGaAs quantum wells
The Zeeman splitting and the underlying value of the g-factor for conduction band electrons in GaAs/Al_xGa_{1-x}As quantum wells have been measured by spin-beat spectroscopy based on a time-resolved Kerr rotation technique. The experimental data are in good agreement with theoretical predictions. The model accurately a...
0610216v1
2006-11-02
Self consistent determination of plasmonic resonances in ternary nanocomposites
We have developed a self consistent technique to predict the behavior of plasmon resonances in multi-component systems as a function of wavelength. This approach, based on the tight lower bounds of the Bergman-Milton formulation, is able to predict experimental optical data, including the positions, shifts and shapes o...
0611017v1
1998-01-07
Large moments in external fields of cubic group symmetry
We predict that large moments $J$, placed into a crystal field with the cubic point symmetry group, differ by their spectrum and magnetic properties. E. g., properties of the odd-integer moments are different from those of the even-integer. The effect is due to Berry's phases gained by the moment, when it tunnels betwe...
9801010v1
2004-03-17
Effect of electron-nuclear spin interactions on electron-spin qubits localized in self-assembled quantum dots
The effect of electron-nuclear spin interactions on qubit operations is investigated for a qubit represented by the spin of an electron localized in a self-assembled quantum dot. The localized electron wave function is evaluated within the atomistic tight-binding model. The magnetic field generated by the nuclear spins...
0403122v1
2007-04-11
A unified projection formalism for the Al-Pd-Mn quasicrystal Xi-approximants and their metadislocations
The approximants xi, xi' and xi'_n of the quasicrystal Al-Mn-Pd display most interesting plastic properties as for example phason-induced deformation processes (Klein, H., Audier, M., Boudard, M., de Boissieu, M., Beraha, L., and Duneau, M., 1996, Phil. Mag. A, 73, 309.) or metadislocations (Klein, H., Feuerbacher, M.,...
0704.1428v1
2007-04-17
Ferromagnetic quantum critical point in URhGe doped with Ru
We have investigated the thermal, transport and magnetic properties of URh$_{1-x}$Ru$_x$Ge alloys near the critical concentration $x_{cr} = 0.38$ for the suppression of ferromagnetic order. The Curie temperature vanishes linearly with $x$ and the ordered moment $m_0$ is suppressed in a continuous way. At $x_{cr}$ the s...
0704.2116v1
2007-05-04
Monitoring Air Moisture with Laser Absorption Spectroscopy
Determination of air density and the quantitative estimates of water vapour adsorbed or desorbed by the surface of mass standard, remain the principals sources of uncertainties when weighing mass standard made from stainless steel or super alloy. The classical method, for air density determination, use the so called CI...
0705.0616v1
2007-05-08
Continuity properties of the integrated density of states on manifolds
We first analyze the integrated density of states (IDS) of periodic Schr\"odinger operators on an amenable covering manifold. A criterion for the continuity of the IDS at a prescribed energy is given along with examples of operators with both continuous and discontinuous IDS'. Subsequently, alloy-type perturbations o...
0705.1079v1
2007-06-05
Universal low-temperature behavior of the CePd_{1-x}Rh_x ferromagnet
The heavy-fermion metal CePd_{1-x}Rh_x evolves from ferromagnetism at x=0 to a non-magnetic state at some critical concentration x_c. Utilizing the quasiparticle picture and the concept of fermion condensation quantum phase transition (FCQPT), we address the question about non-Fermi liquid (NFL) behavior of ferromagnet...
0706.0742v2
2007-06-10
Low-temperature electron dephasing time in AuPd revisited
Ever since the first discoveries of the quantum-interference transport in mesoscopic systems, the electron dephasing times, $\tau_\phi$, in the concentrated AuPd alloys have been extensively measured. The samples were made from different sources with different compositions, prepared by different deposition methods, and...
0706.1342v1
2007-06-29
Orbital Order, Stripe Phases and Mott Transition in a Planar Model for Manganites
Understanding orbital ordered (OO) Mott insulating states lies at the heart of a consistent resolution of the colossal magneto-resistance (CMR) observed in manganites, where its melting induces a low-$T$ insulator-metal transition for $0.25 \le x\le 0.45$. Motivated thereby, we study the OO states in a planar model for...
0706.4352v1
2007-07-17
Positive and negative pressure effects on the magnetic ordering and the Kondo effect in the compound Ce2RhSi3
The competition between magnetic ordering and the Kondo effect in Ce2RhSi3, ordering antiferromagnetically at 7 K, is investigated by the measurements of magnetization, heat capacity and electrical resistivity on the solid solutions, Ce(2-x)La(x)RhSi3, Ce(2-y)Y(y)RhSi3, and Ce2RhSi(3-z)Ge(z), as well as by high pressur...
0707.2518v1
2007-07-20
Ordering effects in diluted magnetic semiconductors
We review recently developed two-step approach for description of electronic and magnetic properties of a new class of materials, the diluted magnetic semiconductors. In the first step we construct, on the basis of the state-of-the-art first-principles electronic structure calculations, the effective Ising and Heisenbe...
0707.3079v1
2007-07-27
Magnetic Field Generation in Planets and Satellites by Natural Nuclear Fission Reactors
One of the most fundamental problems in physics has been to understand the nature of the mechanism that generates the geomagnetic field and the magnetic fields of other planets and satellites. For decades, the dynamo mechanism, thought to be responsible for generating the geomagnetic field and other planetary magnetic ...
0707.4161v4
2007-08-01
Phase diagram and magnetocaloric effect of CoMnGe_{1-x}Sn_{x} alloys
We propose the phase diagram of a new pseudo-ternary compound, CoMnGe_{1-x}Sn_{x}, in the range x less than or equal to 0.1. Our phase diagram is a result of magnetic and calometric measurements. We demonstrate the appearance of a hysteretic magnetostructural phase transition in the range x=0.04 to x=0.055, similar to ...
0708.0204v1
2007-08-03
Lifshitz asymptotics for Hamiltonians monotone in the randomness
In various aspects of the spectral analysis of random Schroedinger operators monotonicity with respect to the randomness plays a key role. In particular, both the continuity properties and the low energy behaviour of the integrated density of states (IDS) are much better understood if such a monotonicity is present in ...
0708.0487v1
2007-08-09
Coexistence of tetrahedral and octahedral-like sites in amorphous phase change materials
Chalcogenide alloys are materials of interest for optical recording and non-volatile memories. We perform ab-initio molecular dynamics simulations aiming at shading light onto the structure of amorphous Ge2Sb2Te5 (GST), the prototypical material in this class. First principles simulations show that amorphous GST obtain...
0708.1302v2
2007-08-28
Doniach diagram for ordered, disordered and underscreened Kondo lattices
The Doniach's diagram has been originally proposed to describe the competition between the local Kondo effect and the intersite RKKY interactions in cerium compounds. Here we discuss the extension of this diagram to different variations of Kondo lattice model. We consider a) ordered cerium compounds where the competiti...
0708.3807v1
2007-08-29
Solute trapping and diffusionless solidification in a binary system
Numerous experimental data on the rapid solidification of binary systems exhibit the formation of metastable solid phases with the initial (nominal) chemical composition. This fact is explained by complete solute trapping leading to diffusionless (chemically partitionless) solidification at a finite growth velocity of ...
0708.3894v2
2007-08-29
Thermodynamic properties of binary HCP solution phases from special quasirandom structures
Three different special quasirandom structures (SQS) of the substitutional hcp $A_{1-x}B_x$ binary random solutions ($x=0.25$, 0.5, and 0.75) are presented. These structures are able to mimic the most important pair and multi-site correlation functions corresponding to perfectly random hcp solutions at those compositio...
0708.3995v1
2007-09-19
Linearized force constants method for lattice dynamics in mixed semiconductors
A simple and accurate method of calculating phonon spectra in mixed semiconductors alloys, on the basis of preliminarily (from first principles) relaxed atomic structure, is proposed and tested for (Zn,Be)Se and (Ga,In)As solid solutions. The method uses an observation that the interatomic force constants, calculated a...
0709.3104v1
2007-10-03
Theory of stripe domains in magnetic shape memory alloys
The evolution of multivariant patterns in thin plates of magnetic shape memory materials with an applied magnetic field was studied theoretically. A geometrical domain-model is considered composed of straight stripe-like martensite variants with constant internal magnetization (high anisotropy limit) and magnetic domai...
0710.0840v2
2007-10-19
A fretting crack initiation prediction taking into account the surface roughness and the crack nucleation process volume
This paper presents an experimental study of the fretting crack nucleation threshold, expressed in terms of loading conditions, with a cylinder/plane contact. The studied material is a damage tolerant aluminium alloy widely used in the aerospace application. Since in industrial problems, the surface quality is often va...
0710.3715v1
2007-11-02
Origin of ferromagnetic response in diluted magnetic semiconductors and oxides
This paper reviews the present understanding of the origin of ferromagnetic response of diluted magnetic semiconductors and diluted magnetic oxides as well as in some nominally magnetically undoped materials. It is argued that these systems can be grouped into four classes. To the first belong composite materials in wh...
0711.0340v1
2007-11-07
Average Density of States in Disordered Graphene systems
In this paper, the average density of states (ADOS) with a binary alloy disorder in disordered graphene systems are calculated based on the recursion method. We observe an obvious resonant peak caused by interactions with surrounding impurities and an anti-resonance dip in ADOS curves near the Dirac point. We also find...
0711.1018v1
2007-11-07
Microstructure and mechanical properties of constrained shape-memory alloy nanograins and nanowires
We use the phase-field method to study the martensitic transformation at the nanoscale. For nanosystems such as nanowires and nanograins embedded in a stiff matrix, the geometric constraints and boundary conditions have an impact on martensite formation, leading to new microstructures --such as dots aligned on a square...
0711.1084v1
2007-11-10
Effect of mixed alkali-element substitution on structural and magnetic properties of praseodymium manganites Pr0.9(Na1-xKx)0.1MnO3
The effect of cationic size mismatch at the A site at constant manganese valence on the structural and magnetic properties of a perovskite-type rare-earth manganate was investigated in the Pr0.9(Na1-xKx)0.1MnO3 solid solution system (0 <= x < 1). All members of this solid solution series are orthorhombic at room temper...
0711.1578v1
2007-11-12
Influence of disorder on the transport properties of heavy-fermion systems
The influence of substitutional disorder on the transport properties of heavy-fermion systems is investigated. We extend the dynamical mean-field theory treatment of the periodic Anderson model (PAM) to a coherent-potential approximation for disordered strongly correlated electron systems. Considering two distinct loca...
0711.1768v2
2007-12-13
Phase field simulations of coupled phase transformations in ferroelastic-ferroelastic nanocomposites
We use phase field simulations to study composites made of two different ferroelastics (e.g., two types of martensite). The deformation of one material due to a phase transformation can elastically affect the other constituent and induce it to transform as well. We show that the phase transformation can then occur abov...
0712.2098v2
2007-12-17
Electronic transport in AlMn(Si) and AlCuFe quasicrystals: Break-down of the semiclassical model
The semi-classical Bloch-Boltzmann theory is at the heart of our understanding of conduction in solids, ranging from metals to semi-conductors. Physical systems that are beyond the range of applicability of this theory are thus of fundamental interest. It appears that in quasicrystals and related complex metallic alloy...
0712.2683v2
2007-12-17
Spin tunneling in junctions with disordered ferromagnets
We provide compelling evidence to establish that, contrary to one's elementary guess, the tunneling spin polarization (TSP) of amorphous CoFeB is larger than that of highly textured fcc CoFeB. First principles atomic and electronic structure calculations reveal striking agreement between the measured TSP and the predic...
0712.2722v1
2008-01-24
Inverse approach to atomistic modeling: Applications to a-Si:H and g-GeSe2
We discuss an inverse approach for atomistic modeling of glassy materials. The focus is on structural modeling and electronic properties of hydrogenated amorphous silicon and glassy GeSe2 alloy. The work is based upon a new approach "experimentally constrained molecular relaxation (ECMR)". Unlike conventional approache...
0801.3685v1
2008-03-04
Crossover between hydrodynamic and kinetic modes in binary liquid alloys
Inelastic x-ray scattering (IXS) measurements of the dynamic structure factor in liquid Na57K43, sensitive to the atomic-scale coarse graining, reveal a sound velocity value exceeding the long wavelength, continuum value and indicate the coexistence of two phonon-like modes. Applying Generalized Collective Mode (GCM) a...
0803.0493v1
2008-03-18
Combined experimental and theoretical investigation of the premartensitic transition in Ni$_2$MnGa
Ultraviolet-photoemission (UPS) measurements and supporting specific-heat, thermal-expansion, resistivity and magnetic-moment measurements are reported for the magnetic shape-memory alloy Ni$_2$MnGa over the temperature range $100K < T < 250K$. All measurements detect clear signatures of the premartensitic transition (...
0803.2724v1
2008-05-01
Absence of low-temperature dependence of the decay of 7Be and 198Au in metallic hosts
The electron-capture (EC) decay rate of 7Be in metallic Cu host and the beta-decay rate of 198Au in the host alloy Al-Au have been measured simultaneously at several temperatures, ranging from 0.350 K to 293 K. No difference of the half-life of 198Au between 12.5 K and 293 K is observed to a precision of 0.1%. By utili...
0805.0024v1
2008-05-01
Study of the effects induced by lead on the emulsion films of the OPERA experiment
The OPERA neutrino oscillation experiment is based on the use of the Emulsion Cloud Chamber (ECC). In the OPERA ECC, nuclear emulsion films acting as very high precision tracking detectors are interleaved with lead plates providing a massive target for neutrino interactions. We report on studies related to the effects ...
0805.0123v2
2008-05-09
General segregation and chemical ordering in bimetallic nanoclusters through atomistic view points
We predict general trends for surface segregation in a binary metal cluster based on the difference between the atomic properties of the constituent elements. Considering the attractive and repulsive contributions of the cohesive energy of an atom in a cluster, energetically most favorable sites for a guest atom on a p...
0805.1396v1
2008-05-15
Microstructure of precipitates and magnetic domain structure in an annealed Co38Ni33Al29 shape memory alloy
The microstructure of a CoNiAl FSMA was determined by conventional transmission electron microscopy, electron diffraction studies together with advanced microscopy techniques and in-situ Lorentz microscopy. 10 to 60 nm sized rod-like precipitates of hcp $\epsilon$-Co were confirmed to be present by HRTEM. The orientati...
0805.2244v1
2008-05-19
An efficient and accurate decomposition of the Fermi operator
We present a method to compute the Fermi function of the Hamiltonian for a system of independent fermions, based on an exact decomposition of the grand-canonical potential. This scheme does not rely on the localization of the orbitals and is insensitive to ill-conditioned Hamiltonians. It lends itself naturally to line...
0805.2822v1
2008-06-02
Thermodynamic stabilities of ternary metal borides: An ab initio guide for synthesizing layered superconductors
Density functional theory calculations have been used to identify stable layered Li-$M$-B crystal structure phases derived from a recently proposed binary metal-sandwich (MS) lithium monoboride superconductor. We show that the MS lithium monoboride gains in stability when alloyed with electron-rich metal diborides; the...
0806.0061v1
2008-07-01
Light matter in the core of the Earth: its identity, quantity and temperature using tricritical phenomena
Light elements in the iron-rich core of the Earth are important indicators for the evolution of our planet. Their amount and distribution, and the temperature in the core, are essential for understanding how the core and the mantle interact and for modelling the geodynamo which generates the planetary magnetic field. H...
0807.0187v1
2008-07-23
Metal-insulator transition by isovalent anion substitution in Ga1-xMnxAs: Implications to ferromagnetism
We have investigated the effect of partial isovalent anion substitution in Ga1-xMnxAs on electrical transport and ferromagnetism. Substitution of only 2.4% of As by P induces a metal-insulator transition at a constant Mn doping of x=0.046 while the replacement of 0.4 % As with N results in the crossover from metal to i...
0807.3722v1
2008-07-24
Influence of defects on the electronic and magnetic properties of half-metallic CrAs, CrSe and CrSb zinc-blende compounds
We present an extended study of single impurity atoms and atomic swaps in half-metallic CrAs, CrSb and CrSe zinc-blende compounds. Although the perfect alloys present a rather large gap in the minority-spin band, all defects under study, with the exception of void impurities at Cr and sp sites and Cr impurities at sp s...
0807.3836v1
2008-08-10
59-Co and 75-As NMR Investigation of Electron-Doped High Tc Superconductor BaFe(1.8)Co(0.2)As(2) (Tc = 22K)
We report an NMR investigation of the superconductivity in BaFe(2)As(2) induced by Co doping (Tc=22K). We demonstrate that Co atoms form an alloy with Fe atoms and donate carriers without creating localized moments. Our finding strongly suggests that the underlying physics of iron-pnictide superconductors is quite diff...
0808.1420v2
2008-08-12
Magnetism Driven by Anion Vacancies in Superconducting $α$--FeSe$_{1-x}$
To study the microscopic electronic and magnetic interactions in the substoichiometric iron chalcogenide FeSe$_{1-x}$ which is observed to superconduct at x~1/8 up to $T_c$=27 K, we use first principles methods to study the Se vacancy in this nearly magnetic FeSe system. The vacancy forms a ferrimagnetic cluster of eig...
0808.1733v2