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47
2003-08-25
New group of stable icosahedral quasicrystals: structural properties and formation conditions
Structural studies on the icosahedral quasicrystals in Zn-Mg-Sc, Cu-Ga-Mg-Sc, and Zn-Mg-Ti alloys as well as their corresponding 1/1 cubic approximants, have revealed that these quasicrystals belong to a new structural group similar to Cd-based quasicrystals. This group is characterized by a triple-shell icosahedral cl...
0308478v1
2003-09-02
Mott-Hubbard metal-insulator transition at non-integer filling
Correlated electrons in a binary alloy $A_{x}B_{1-x}$ are investigated within the Hubbard model and dynamical mean--field theory (DMFT). The random energies $\epsilon_{i}$ have a bimodal probability distribution and an energy separation $\Delta $. We solve the DMFT equations by the numerical renormalization group metho...
0309067v1
2003-09-02
Low temperature irreversibility induced by thermal cycles on two prototypical phase separated manganites
We have studied the effect of irreversibility induced by repeated thermal cycles on the electric transport and magnetization of polycrystalline samples of La0.5Ca0.5MnO3 and La0.325Pr0.3Ca0.375MnO3. An increase of the resistivity and a decrease of the magnetization at different temperature ranges after cycling is obtai...
0309073v2
2003-09-12
Anisotropy of exchange stiffness and its effect on the properties of magnets
Using the spin-spiral formulation of the tight-binding linear muffin-tin orbital method, the principal components of the exchange stiffness tensor are calculated for typical hard magnets including tetragonal CoPt-type and hexagonal YCo5 alloys. The exchange stiffness is strongly anisotropic in all studied alloys. This ...
0309321v1
2003-10-24
Reliable First-Principles Alloy Thermodynamics via Truncated Cluster Expansions
In alloys cluster expansions (CE) are increasingly used to combine first-principles electronic-structure and Monte Carlo methods to predict thermodynamic properties. As a basis-set expansion in terms of lattice geometrical clusters and effective cluster interactions, the CE is exact if infinite, but is tractable only i...
0310584v2
2003-12-15
First order magnetic transition in CeFe$_2$ alloys: Phase-coexistence and metastability
First order ferromagnetic (FM) to antiferromagnetic (AFM) phase transition in doped-CeFe$_2$ alloys is studied with micro-Hall probe technique. Clear visual evidence of magnetic phase-coexistence on micrometer scales and the evolution of this phase-coexistence as a function of temperature, magnetic field and time acros...
0312352v1
2004-01-30
High-field superconductivity in alloyed MgB2 thin films
We investigated the effect of alloying on the upper critical field $H_{c2}$ in 12 $MgB_2$ films, in which disorder was introduced by growth, carbon doping or He-ion irradiation, finding a significant $H_{c2}$ enhancement in C-alloyed films, and an anomalous upward curvature of $H_{c2}(T)$. Record high values of $H_{c2}...
0402001v1
2004-05-09
Electronic structure of random binary alloys : an augmented space formulation in reciprocal space
We present here a reciprocal space formulation of the Augmented space recursion (ASR) which uses the lattice translation symmetry in the full augmented space to produce configuration averaged quantities, such as spectral functions and complex band structures. Since the real space part is taken into account {\sl exactly...
0405175v2
2004-05-09
Dislocation Formation and Work-Hardening in Two-Phase Alloys
A phase field model is presented to investigate dislocation formation (coherency loss) and workhardening in two-phase binary alloys. In our model the elastic energy density is a periodic function of the shear and tetragonal strains, which allows multiple formation of slips (dislocation dipoles). By numerically integrat...
0405177v3
2004-05-17
Disordered Carbon nanotube alloys in the Effect Medium Super Cell Approximation
We investigate a disordered single-walled carbon nanotube (SWCNT) in an effective medium super cell approximation (EMSCA). First type of disorder that we consider is the presence of vacancies. Our results show that the vacancies induce some bound states on their neighbor host sites, leading to the creation of a ban...
0405364v1
2004-05-26
ScGaN Alloy Growth by Molecular Beam Epitaxy: Evidence for a Metastable Layered Hexagonal Phase
Alloy formation in ScGaN is explored using rf molecular beam epitaxy over the Sc fraction range x = 0-100%. Optical and structural analysis show separate regimes of growth, namely I) wurtzite-like but having local lattice distortions in the vicinity of the ScGa substitutions for small x (x < 0.17), II) a transitional r...
0405614v2
2004-05-26
Surface pinning in amorphous ZrTiCuNiBe alloy
We have measured the amplitude and the phase of an electromagnetic (EM) field radiated from superconductor (amorphous ZrTiCuNiBe alloy) in the mixed state due to interaction of the flux lattice with an elastic wave. The results undoubtedly point to an essential contribution of a surface pinning into the flux lattice dy...
0405616v1
2004-06-26
Wetting behavior at the free surface of a liquid gallium-bismuth alloy: An X-ray reflectivity study close to the bulk monotectic point
We present x-ray reflectivity measurements from the free surface of a liquid gallium-bismuth alloy (Ga-Bi) in the temperature range close to the bulk monotectic temperature $T_{mono} = 222$C. Our measurements indicate a continuous formation of a thick wetting film at the free surface of the binary system driven by the ...
0406659v1
2004-07-06
The Diffusion of Sb into Ge without Contamination by Fast Diffusing Electrically Active Impurities
A method has been developed to permit the diffusion of Sb into Ge at high temperatures (~850 C) without contamination by fast diffusing electrically active impurities in particular by Cu. A liquid metal alloy is used as a getter of Cu and other fast diffusing impurities. This alloy, Ga- In eutectic, completely encloses...
0407111v5
2004-07-11
Wetting Phase Transition at the Surface of Liquid Ga-Bi alloys: An X-ray Reflectivity Study
X-ray reflectivity measurements of the binary liquid Ga-Bi alloy reveal a dramatically different surface structure above and below the monotectic temperature $T_{mono}=222^{\circ}$ C. A Gibbs-adsorbed Bi monolayer resides at the surface at both regimes. However, a 30 {\AA} thick, Bi-rich wetting film intrudes between...
0407270v1
2004-07-17
Composition and strain dependence of band offsets at metamorphic In$_{x}$Ga$_{1-x}$As/In$_{y}$Al$_{1-y}$As heterostructures
We have studied the In$_{x}$Ga$_{1-x}$As/In$_{y}$Al$_{1-y}$As (001) interface using first-principles ab-initio pseudopotential calculations, focusing on the effects of alloy composition and strain state on the electronic properties. In particular we estimate a valence band offset (VBO) of 0.11 eV (InGaAs higher), inclu...
0407461v2
2004-07-28
Fractal Self-Assembled Nanostructures on Monocrystalline Silicon Surface
We present ultra-shallow diffusion profiles performed by short-time diffusion of boron from the gas phase using controlled surface injection of self-interstitials and vacancies into the n-type Si(100) wafers. The diffusion profiles of this art are found to consist of both longitudinal and lateral silicon quantum wells ...
0407722v1
2004-07-30
Phase stability analysis in Fe-Pt and Co-Pt alloy systems: An augmented space study
We have studied the problem of phase stability in Fe-Pt and Co-Pt alloy systems. We have used the orbital peeling technique in the conjunction of augmented space recursion based on the tight binding linear orbital method as the method for the calculation of pair interaction energies. In particular, we have generalized ...
0407805v2
2004-09-14
Kinetic Monte Carlo Simulations of Crystal Growth in Ferroelectric Alloys
The growth rates and chemical ordering of ferroelectric alloys are studied with kinetic Monte Carlo (KMC) simulations using an electrostatic model with long-range Coulomb interactions, as a function of temperature, chemical composition, and substrate orientation. Crystal growth is characterized by thermodynamic process...
0409364v1
2004-09-30
Group V Mixing Effects in the Structural and Optical Properties of (ZnSi)1/2(P)1/4(As)1/4
We present {\it ab initio} total energy and band structure calculations based on Density Funtional Theory (DFT) within the Local Density Aproximation (LDA) on group-V mixing effects in the optoelectronic material $(ZnSi)_{1/2}P_{1/4}As_{3/4}$. This compound has been recently proposed by theoretical design as an optical...
0409782v1
2004-10-20
Electronic structure of complex spd Hume-Rothery phases in transition-metal aluminides
The discovery of quasicrystals phases and approximants in Al(rich)-Mn system has revived the interest for complex aluminides containing transition-metal atoms. On one hand, it is now accepted that the Hume-Rothery stabilization plays a crucial role. On the other hand, transition-metal atoms have also a very important e...
0410513v2
2004-10-21
The local atomic quasicrystal structure of the icosahedral Mg25Y11Zn64 alloy
A local and medium range atomic structure model for the face centred icosahedral (fci) Mg25Y11Zn64 alloy has been established in a sphere of r = 27 A. The model was refined by least squares techniques using the atomic pair distribution (PDF) function obtained from synchrotron powder diffraction. Three hierarchies of th...
0410534v1
2004-12-05
Pairing Interactions and Gibbs Adsorption at the Liquid Bi-In Surface: A Resonant X-Ray Reflectivity Study
Resonant x-ray reflectivity measurements from the surface of liquid Bi22In78 find only a modest surface Bi enhancement, with 35 atomic % Bi in the first atomic layer. This is in contrast to the Gibbs adsorption in all liquid alloys studied to date, which show surface segregation of a complete monolayer of the low surfa...
0412103v1
2004-12-05
Microscopic Surface Structure of Liquid Alkali Metals
We report an x-ray scattering study of the microscopic structure of the surface of a liquid alkali metal. The bulk liquid structure factor of the eutectic K67Na33 alloy is characteristic of an ideal mixture, and so shares the properties of an elemental liquid alkali metal. Analysis of off-specular diffuse scattering an...
0412109v1
2005-01-03
Fermi Surface as a Driver for the Shape-Memory Effect in AuZn
Martensites are materials that undergo diffusionless, solid-state transitions. The martensitic transition yields properties that depend on the history of the material and may allow it to recover its previous shape after plastic deformation. This is known as the shape-memory effect (SME). We have succeeded in identifyin...
0501024v1
2005-01-11
Photoinduced time-resolved electrodynamics of superconducting metals and alloys
The photoexcited state in superconducting metals and alloys was studied via pump-probe spectroscopy. A pulsed Ti:sapphire laser was used to create the non-equilibrium state and the far-infrared pulses of a synchrotron storage ring, to which the laser is synchronized, measured the changes in the material optical propert...
0501253v1
2005-02-18
Accuracy of ab initio methods in predicting the crystal structures of metals: review of 80 binary alloys
Predicting and characterizing the crystal structure of materials is a key problem in materials research and development. We report the results of ab initio LDA/GGA computations for the following systems: AgAu, AgCd, AgMg, AgMo*, AgNa, AgNb*, AgPd, AgRh*, AgRu*, AgTc*, AgTi, AgY, AgZr, AlSc, AuCd, AuMo*, AuNb, AuPd, AuP...
0502465v1
2005-03-18
Precipitation kinetics of Al3Zr and Al3Sc in aluminum alloys modeled with cluster dynamics
Precipitation kinetics of Al3Zr and Al3Sc in aluminum supersaturated solid solutions is studied using cluster dynamics, a mesoscopic modeling technique which describes the various stages of homogeneous precipitation by a single set of rate equations. The only parameters needed are the interface free energy and the diff...
0503485v2
2005-04-12
Mott transition in the asymmetric Hubbard model at half-filling within dynamical mean-field theory
We apply the approximate analytic methods to the investigation of the band structure of the asymmetric Hubbard model where the chemical potentials and electron transfer parameters depend on the electron spin (type of quasiparticles). The Hubbard-I and alloy-analogy approximations are the simplest approximations which a...
0504289v1
2005-04-19
Quantum phases in mixtures of fermionic atoms
A mixture of spin-polarized light and heavy fermionic atoms on a finite size 2D optical lattice is considered at various temperatures and values of the coupling between the two atomic species. In the case, where the heavy atoms are immobile in comparison to the light atoms, this system can be seen as a correlated binar...
0504491v1
2005-04-20
Correlation regimes in fluctuations of fatigue crack growth
This paper investigates correlation properties of fluctuations in fatigue crack growth of polycrystalline materials, such as ductile alloys, that are commonly encountered in structures and machinery components of complex electromechanical systems. The model of crack damage measure indicates that the fluctuations of fat...
0504530v1
2005-06-14
Simulation of the liquid pool for VT3-1 titanium alloy during vacuum arc remelting process
This article describes a simple heat model of the vacuum arc remelting (VAR) process that includes solution of the nonlinear heat conductivity equation with the nonlinear boundary conditions which are typical for VAR process. The finite-difference analogue of the model equations was obtained through the finite volume m...
0506314v3
2005-06-22
Differential thermal analysis and solution growth of intermetallic compounds
To obtain single crystals by solution growth, an exposed primary solidification surface in the appropriate, but often unknown, equilibrium alloy phase diagram is required. Furthermore, an appropriate crucible material is needed, necessary to hold the molten alloy during growth, without being attacked by it. Recently, w...
0506587v1
2005-07-01
Composition gradients and their effects on superconductivity in Al-doped MgB2
(Abridged abstract) Alloyed MgB2 differs from pure forms in that diffusion is needed to distribute the alloying elements homogeneously. Williamson-Hall analyses of x-ray diffraction peaks showed that Mg1-xAlxB2 samples made by a typical reaction A had higher crystalline strain than when thoroughly annealed by reaction ...
0507041v1
2005-07-07
Generalized band anti-crossing model for highly mismatched semiconductors applied to BeSe$_{x}$Te$_{1 - x}$
We report a new model for highly mismatched semiconductor (HMS) alloys. Based on the Anderson impurity Hamiltonian, the model generalizes the recent band anti-crossing (BAC) model, which successfully explains the band bowing in highly mismatched semiconductors. Our model is formulated in empirical tight-binding (ETB) t...
0507189v2
2005-08-05
Effect of Native Defects on Optical Properties of InxGa1-xN Alloys
The energy position of the optical absorption edge and the free carrier populations in InxGa1-xN ternary alloys can be controlled using high energy 4He+ irradiation. The blue shift of the absorption edge after irradiation in In-rich material (x > 0.34) is attributed to the band-filling effect (Burstein-Moss shift) due ...
0508140v1
2005-08-09
Spin-dependent recombination in GaAsN alloys
The spin-dependent recombination (SDR) has been observed in GaAs_{1-x}N_{x} (x = 2.1, 2.7, 3.4%) at room temperature. It reveals itself in a decrease of the edge photoluminescence (PL) intensity by more than a factor of 3 when either the polarization of the exciting light is changed from circular to linear or the trans...
0508222v1
2005-08-22
Effect of Hydrostatic Pressure on Superconductivity in kappa-[(BEDT-TTF)1-X(Bedse-TTF)X]2Cu[N(CN)2]Br
Static susceptibility of kappa-[(BEDT-TTF)1-x(BEDSe-TTF)x]2Cu[N(CN)2]Br alloys with the BEDSe-TTF content near the border-line of ambient pressure superconductivity (x~0.3) has been measured as a function of temperature, magnetic field, and pressure. A non-monotonic pressure dependence is observed for both the supercon...
0508485v1
2005-11-23
Enhancement of the upper critical field of Nb3Sn utilizing disorder introduced by ball milling the elements
Nb3Sn was prepared by milling Nb and Sn powder mixtures followed by limited reactions to restrict disorder recovery. Although disorder reduced the superconducting critical temperature Tc, the concomitant electron scattering increased the upper critical field mu0Hc2 to as high as 35 T at 0 K, as determined by the Wertha...
0511560v1
2005-11-29
Free Volume cannot Explain the Spatial Heterogeneity of Debye-Waller factors in a Glass-Forming Binary Alloy
We examine the relation between the free volume per particle and the variance of the particle position, equivalent to a local Debye-Waller (DW) factor for a 2D glass-forming alloy using molecular dynamics simulations. We find that the latter quantity exhibits significant spatial heterogeneity despite involving trajecto...
0511690v1
2006-01-30
Iron self-diffusion in FeZr/$^{57}$FeZr multilayers measured by neutron reflectometry: Effect of applied compressive stress
Iron self-diffusion in nano-composite FeZr alloy has been investigated using neutron reflectometry technique as a function of applied compressive stress. A composite target of (Fe+Zr) and (57Fe+Zr) was alternatively sputtered to deposit chemically homogeneous multilayer (CHM) structure, [Fe75Zr25/57Fe75Zr25]10. The mul...
0601646v1
2006-02-01
Observation of a strongly nested Fermi surface in the shape-memory alloy Ni[0.62]Al[0.38]
The Fermi surface topology of the shape-memory alloy Ni[0.62]Al[0.38] has been determined using Compton scattering. A large area of this Fermi surface can be made to nest with other areas by translation through a vector of ~ 0.18 [1,1,0] (2pi/a), which correponds to the wavevector associated with martensitic precursor ...
0602028v1
2006-02-18
Scaling Behavior of Portevin-Le Chatelier Effect
The scaling behavior of the Portevin-Le Chatelier (PLC) effect is studied by deforming a substitutional alloy, Al-2.5%Mg and an interstitial alloy, low carbon steel (0.15%C, 0.33%Mn, 0.04%P, 0.05%S, 0.15%Si and rest Iron) at room temperature for a wide range of strain rates. To reveal the exact scaling nature, the time...
0602436v1
2006-02-19
(Ga,In)P: A standard alloy in the classification of phonon mode behavior
Contrary to a broadly accepted assumption we show that random (Ga,In)P is not an exception with respect to the crude classification of the phonon mode behavior of random mixed crystals in terms of 1-bond->1-mode systems or 2-bond->1-mode systems, as established from the simple criterion derived by Elliott et al. [Rev.M...
0602442v1
2006-03-22
Electronic structure and exchange constants in magnetic semiconductors digital alloys: chemical and band-gap effects
First-principles simulations have been performed for [001]-ordered Mn/Ge and Mn/GaAs "digital alloys", focusing on the effects of i) a larger band-gap and ii) a different semiconducting host on the electronic structure of the magnetic semiconductors of interest. Our results for the exchange constants in Mn/Ge, evaluate...
0603589v1
2006-04-19
Cluster interactions for fcc-based structures in the Al-Mg-Si system
A class of proposed coherent precipitate structures (Guinier-Preston zones) in the Al-Mg-Si alloy are investigated using first-principles density functional theory methods. The cluster expansion method is used to extract effective interaction parameters, providing the means for large scale energy calculations of alloy ...
0604445v1
2006-06-09
Experimental study of the competition between Kondo and RKKY interactions for Mn spins in a model alloy system
The quasicrystal Al-Pd-Mn is a model system for an experimental study of the competition between Ruderman-Kittel-Kasuya-Yoshida (RKKY) and Kondo interactions. First, specific of such alloys, only a few Mn atoms carry an effective spin and their concentration x is tunable over several orders of magnitude, even though th...
0606241v1
2006-09-19
Analysis of electron-positron momentum spectra of metallic alloys as supported by first-principles calculations
Electron-positron momentum distributions measured by the coincidence Doppler broadening method can be used in the chemical analysis of the annihilation environment, typically a vacancy-impurity complex in a solid. In the present work, we study possibilities for a quantitative analysis, i.e., for distinguishing the aver...
0609461v2
2006-11-03
Energy levels and their correlations in quasicrystals
Quasicrystals can be considered, from the point of view of their electronic properties, as being intermediate between metals and insulators. For example, experiments show that quasicrystalline alloys such as AlCuFe or AlPdMn have conductivities far smaller than those of the metals that these alloys are composed from. W...
0611081v1
2006-12-27
Spin-dependent electron dynamics and recombination in GaAs(1-x)N(x) alloys at room temperature
We report on both experimental and theoretical study of conduction-electron spin polarization dynamics achieved by pulsed optical pumping at room temperature in GaAs(1-x)N(x) alloys with a small nitrogen content (x = 2.1, 2.7, 3.4%). It is found that the photoluminescence circular polarization determined by the mean sp...
0612639v1
2007-01-26
Characterization of irradiated microstructure by X-ray diffraction line profile analysis
Zirconium based alloys have been irradiated with 11 and 15 MeV proton and 116 MeV oxygen ions at different doses. The changes in the microstructure have been studied for the ion irradiated alloys as a function of dose using X-Ray Diffraction Line Profile Analysis (XRDLPA) based on the whole powder pattern fitting techn...
0701644v1
2007-02-08
X-ray Reflectivity Studies of Atomic-level Surface-segregation in a Liquid Eutectic Alloy of AuSn
X-ray reflectivity studies reveal atomic-level surface-segregation at the free surface of the eutectic Au71Sn29 liquid alloy. The surface-segregation extends up to three layers, in which the top layer is almost a pure monolayer of Sn, the second layer is almost a pure monolayer of Au and the third layer appears to be s...
0702193v1
2007-02-17
Crystalline Surface Phases of the Liquid Au-Si Eutectic Alloy
A two dimensional crystalline layer is found at the surface of the liquid eutectic Au$_{82}$Si$_{18}$ alloy above its melting point $T_M=359 ^{\circ}$C. Underlying this crystalline layer we find a layered structure, 6-7 atomic layers thick. This surface layer undergoes a first-order solid-solid phase transition occurri...
0702413v2
2007-03-26
Molecular dynamics study on planar clustering of xenon in UO2
Interatomic potentials of uranium dioxide are investigated on their applicability to model structural stabilities beyond fluorite phase by comparing with ab-initio results. A high pressure cotunnite phase and loosely stacking virtual crystal are involved in order to get a primary confidence for large-scale deformation ...
0703657v1
1998-11-19
Modelling of Phase Separation in Alloys with Coherent Elastic Misfit
Elastic interactions arising from a difference of lattice spacing between two coherent phases can have a strong influence on the phase separation (coarsening) of alloys. If the elastic moduli are different in the two phases, the elastic interactions may accelerate, slow down or even stop the phase separation process. I...
9811019v1
1996-08-29
Ab initio simulations of liquid systems: Concentration dependence of the electric conductivity of NaSn alloys
Liquid NaSn alloys in five different compositions (20, 40, 50, 57 and 80% sodium) are studied using density functional calculations combined with molecular dynamics(Car-Parrinello method). The frequency-dependent electric conductivities for the systems are calculated by means of the Kubo-Greenwood formula. The extrap...
9608008v1
2004-03-08
Composition-induced structural transitions in mixed rare-gas clusters
The low-energy structures of mixed Ar--Xe and Kr--Xe Lennard-Jones clusters are investigated using a newly developed parallel Monte Carlo minimization algorithm with specific exchange moves between particles or trajectories. Tests on the 13- and 19- atom clusters show a significant improvement over the conventional bas...
0403048v2
2005-04-05
Reduction of Magnetic Noise in Atom Chips by Material Optimization
We discuss the contribution of the material type in metal wires to the electromagnetic fluctuations in magnetic microtraps close to the surface of an atom chip. We show that significant reduction of the magnetic noise can be achieved by replacing the pure noble metal wires with their dilute alloys. The alloy compositio...
0504027v2
2007-04-02
Effective potentials for quasicrystals from ab-initio data
Classical effective potentials are indispensable for any large-scale atomistic simulations, and the relevance of simulation results crucially depends on the quality of the potentials used. For complex alloys like quasicrystals, however, realistic effective potentials are practically inexistent. We report here on our ef...
0704.0163v1
2007-04-10
Magnetic superelasticity and inverse magnetocaloric effect in Ni-Mn-In
Applying a magnetic field to a ferromagnetic Ni$_{50}$Mn$_{34}$In$_{16}$ alloy in the martensitic state induces a structural phase transition to the austenitic state. This is accompanied by a strain which recovers on removing the magnetic field giving the system a magnetically superelastic character. A further property...
0704.1243v1
2007-04-11
Fracture of complex metallic alloys: An atomistic study of model systems
Molecular dynamics simulations of crack propagation are performed for two extreme cases of complex metallic alloys (CMAs): In a model quasicrystal the structure is determined by clusters of atoms, whereas the model C15 Laves phase is a simple periodic stacking of a unit cell. The simulations reveal that the basic build...
0704.1444v1
2007-04-19
Exotic Kondo-hole band resistivity and magnetoresistance of Ce$_{1-x}$La$_{x}$Os$_4$Sb$_{12}$ alloys
Electrical resistivity measurements of non-magnetic single-crystalline Ce$_{1-x}$La$_x$Os$_4$Sb$_{12}$ alloys, $x=0.02$ and 0.1, are reported for temperatures down to 20 mK and magnetic fields up to 18 T. At the lowest temperatures, the resistivity of Ce$_{0.98}$La$_{0.02}$Os$_4$Sb$_{12}$ has a Fermi-liquid-like temper...
0704.2581v1
2007-06-02
Local structure evolution in polycrystalline Zn$_{1-x}$Mg$_x$O ($0\leq{x}\leq{0.15}$) studied by Raman and by synchrotron x-ray pair distribution analysis
The local structures of Zn$_{1-x}$Mg$_x$O alloys have been studied by Raman spectroscopy and by synchrotron x-ray pair distribution function (PDF) analysis. Within the solid solution range ($0\leq{x}\leq{0.15}$) of Zn$_{1-x}$Mg$_x$O, the wurtzite framework is maintained with Mg homogeneously distributed throughout the ...
0706.0289v1
2007-06-05
Anomalous phonon behavior in the high temperature shape memory alloy: TiPd:Cr
Ti50 Pd50-xCrx is a high temperature shape memory alloy with a martensitic transformation temperature strongly dependent on the Cr composition. Prior to the transformation a premartensitic phase is present with an incommensurate modulated cubic lattice with wave vector of q0=(0.22, 0.22, 0). The temperature dependence ...
0706.0737v1
2007-07-03
Numerical study of the influence of an applied electrical potential on the solidification of a binary metal alloy
In this work we study numerically the influence of a homogeneous electrical field on the fluid and heat transfer phenomena at macroscale and mesoscale during unidirectional solidification of a binary metal alloy. The numerical results showed that a pulse electric discharging applied perpendicularly to the solidificatio...
0707.0369v1
2007-07-19
Nuclear Georeactor Generation of Earth's Geomagnetic Field
The purpose of this communication is to suggest that the mechanism for generating the geomagnetic field and the energy source for powering it are one and the same, a nuclear georeactor at the center of the Earth. Toward this end, I: i) Present evidence that the nuclear georeactor fission-product sub-shell is fluid; ii)...
0707.2850v4
2007-08-10
Low temperature heat capacity of Fe_{1-x}Ga_{x} alloys with large magneostriction
The low temperature heat capacity C_{p} of Fe_{1-x}Ga_{x} alloys with large magnetostriction has been investigated. The data were analyzed in the standard way using electron ($\gamma T$) and phonon ($\beta T^{3}$) contributions. The Debye temperature $\Theta_{D}$ decreases approximately linearly with increasing Ga conc...
0708.1432v1
2007-08-16
Dynamic elastic properties and magnetic susceptibility across the austenite-martensite transformation in site-disordered ferromagnetic Ni-Fe-Al alloy
Besides permitting an accurate determination of the ferromagnetic-to-paramagnetic phase transition temperature and the characteristic temperatures for the beginning and end of the growth of martensite (austenite) phase at the expense of austenite (martensite) phase while cooling (heating), the results of an extensive a...
0708.2161v1
2007-08-23
Ballistic vs Diffusive Transport in Current-Induced Magnetization Switching
We test whether current-induced magnetization switching due to spin-transfer-torque in ferromagnetic/non-magnetic/ferromagnetic (F/N/F) trilayers changes significantly when scattering within the N-metal layers is changed from ballistic to diffusive. Here ballistic corresponds to a ratio r = lambda/t greater than or equ...
0708.3229v2
2007-10-24
Magnetic tight-binding and the iron-chromium enthalpy anomaly
We describe a self consistent magnetic tight-binding theory based in an expansion of the Hohenberg-Kohn density functional to second order, about a non spin polarised reference density. We show how a first order expansion about a density having a trial input magnetic moment leads to the Stoner--Slater rigid band model....
0710.4399v1
2007-11-13
Optimal Wegner estimates for random Schroedinger operators on metric graphs
We consider Schroedinger operators with a random potential of alloy type on infinite metric graphs which obey certain uniformity conditions. For single site potentials of fixed sign we prove that the random Schroedinger operator restricted to a finite volume subgraph obeys a Wegner estimate which is linear in the volum...
0711.1953v2
2007-11-15
Labyrinthine Island Growth during Pd/Ru(0001) Heteroepitaxy
Using low energy electron microscopy we observe that Pd deposited on Ru only attaches to small sections of the atomic step edges surrounding Pd islands. This causes a novel epitaxial growth mode in which islands advance in a snakelike motion, giving rise to labyrinthine patterns. Based on density functional theory toge...
0711.2491v1
2007-12-21
Effects of hydrostatic pressure on the magnetism and martensitic transition of Ni-Mn-In magnetic superelastic alloys
We report magnetization and differential thermal analysis measurements as a function of pressure accross the martensitic transition in magnetically superelastic Ni-Mn-In alloys. It is found that the properties of the martensitic transformation are significantly affected by the application of pressure. All transition te...
0712.3651v1
2008-01-12
$S$-wave pairing symmetry in non-centrosymmetric superconductor Re$_3$W
The alloys of non-centrosymmetric superconductor, Re$_3$W, which were reported to have an $\alpha$-Mn structure [P. Greenfield and P. A. Beck, J. Metals, N. Y. \textbf{8}, 265 (1959)] with $T_\mathrm{c}=9 $K were prepared by arc melting. The ac susceptibility and low-temperature specific heat were measured on these all...
0801.1879v1
2008-02-08
Metastability and magnetic memory effect in Ni-Mn-Sn alloy
Magneto-structural instability in the ferromagnetic shape memory alloy of composition Ni$_2$Mn$_{1.4}$Sn$_{0.6}$ is investigated by transport and magnetic measurements. Large negative magnetoresistance is observed around the martensitic transition temperature (90-210 K). Both magnetization and magnetoresistance data in...
0802.1102v1
2008-03-14
A possible mechanism of ultrafast amorphization in phase-change memory alloys: an ion slingshot from the crystalline to amorphous position
We propose that the driving force of an ultrafast crystalline-to-amorphous transition in phase-change memory alloys are strained bonds existing in the (metastable) crystalline phase. For the prototypical example of GST, we demonstrate that upon breaking of long Ge-Te bond by photoexcitation Ge ion shot from an octahedr...
0803.2127v1
2008-03-24
Theoretical study of the intrinsic magnetic properties of disordered $Fe_{1-x}Ru_x$ alloys: a mean-field approach
The magnetic properties of the $Fe_{1-x}Ru_x$ alloy system for 0 $\leq$ x $\leq$ 0.10 are studied by using a mean-field approximation based on the Bogoliubov inequality. Ferromagnetic Fe-Fe spin correlations and antiferromagnetic Fe-Ru and Ru-Ru exchanges have been considered to describe the temperature dependence of t...
0803.3439v1
2008-04-02
First-principles study of the optical properties of MgxTi(1-x)H2
The optical and electronic properties of Mg-Ti hydrides are studied using first-principles density functional theory. Dielectric functions are calculated for MgxTi(1-x)H2 with compositions x = 0.5, 0.75, and 0.875. The structure is that of fluorite TiH2 where both Mg and Ti atoms reside at the Ti positions of the latti...
0804.0376v1
2008-04-08
Phase diagram of Fe-doped Ni-Mn-Ga ferromagnetic shape-memory alloys
We have studied the effect of Fe addition on the structural and magnetic transitions in the magnetic shape memory alloy Ni-Mn-Ga by substituting systematically each atomic species by Fe. Calorimetric and AC susceptibility measurements have been carried out in order to study the magnetic and structural transformation pr...
0804.1236v1
2008-04-11
Dissipative structure formation during crystallization of alloys under high-nonequilibrium conditions
The crystallization of a binary system is investigated in computer model which takes into account a temperature dependence of diffusion coefficient and a nonequilibrium partition of dissolved component of the alloy. The dependence of interface velocity on an undercooling at the dendrite tip is obtained during rapid sol...
0804.1868v1
2008-05-22
Repeated magnetic compensation behaviour in Nd0.75Gd0.25Rh3B2 alloy having hexagonal structure and planar anisotropy
The results of dc and ac magnetization, electrical resistance and heat capacity studies in an admixed rare earth alloy Nd0.75Gd0.25Rh3B2, which is close to the zero magnetization limit, are reported. Novel observations include the two antiferromagnetic like transitions, concomitant repeated/multiple magnetic compensati...
0805.3412v2
2008-06-02
Competition between Kondo and RKKY exchange couplings in Pu{1-x}Am{x} alloys
To clarify the role of the Kondo effect in screening local magnetic moments of Plutonium 5f--electrons as well as its competition to the RKKY interactions we use a combination of density functional theory with static Hartree Fock and dynamic Hubbard 1 approximations to calculate the strength of both the Kondo exchange,...
0806.0408v1
2008-06-03
Enhanced superconductivity in Hf-base metallic glasses
Systematic study of electrical resistivity of Hf_{100-x}Fe_x (x=20,25), Hf_{100-x}Cu_x (x=30,40,50), and Ti_{65}Cu_{35} metallic glasses has been done in the temperature range 0.3 K - 290 K, and in magnetic fields B <= 5 T. All Hf-base alloys are superconducting with T_c >= 0.44 K, which is well above T_c of pure cryst...
0806.0515v2
2008-06-23
Ab-initio Study on the Magnetic Structures in the Ordered Mn3Pt Alloy
We study the electronic states of the magnetically ordered Mn3Pt alloy within the density functional theory. Mn3Pt has been believed that one third of Mn atoms have no magnetic moment in an antiferromagnetic phase (so-called the F-phase) realized in the temperature range of 400 K < T < 475 K. We show that this experime...
0806.3627v1
2008-06-29
On the insights into phases of liquid water from study of its unusual glass-forming properties
We investigate whether an interpretation of water's thermodynamics [Science, 319, 582 (2008)] by using analogy with the binary metal alloys lambda-type ordering transition or buckminsterfullerene's orientational-ordering transition has merit. On examining the heat capacity data used for the nanoconfined water, the cons...
0806.4775v1
2008-07-10
Experimental Investigation of Thickness Effects on Mixed-mode I/II Fracture of an Aluminum Alloy
Experimental investigations on the effect of thicknesses on mixed-mode I/II fracture are performed with an aluminum alloy with thicknesses of 2, 4, 8 and 14 mm. It is found that under pure-mode I loading condition, the loading capacity per unit thickness monotonically decreases with increasing thickness. However, under...
0807.1577v2
2008-09-12
Spin-Diffusion Lengths in Dilute Cu(Ge) and Ag(Sn) Alloys
We use current-perpendicular-to-plane (CPP) exchange-biased spin-valves to directly measure spin diffusion lengths lsf for N = Cu(2.1 at.%Ge) and Ag(3.6 at.%Sn) alloys. We find lsf(Cu2%Ge)) = 117+10-6 nm and lsf(Ag4%Sn)= 39 +/- 3 nm. The good agreement of this lsf(Cu2%Ge) with the value lsf(Cu2%Ge) = 121 +/- 10 nm deri...
0809.2250v1
2008-10-13
Tunable Hydrogen Storage in Magnesium - Transition Metal Compounds
Magnesium dihydride ($\mgh$) stores 7.7 weight % hydrogen, but it suffers from a high thermodynamic stability and slow (de)hydrogenation kinetics. Alloying Mg with lightweight transition metals (TM = Sc, Ti, V, Cr) aims at improving the thermodynamic and kinetic properties. We study the structure and stability of Mg$_x...
0810.2254v1
2008-11-08
Spin-orbit strength driven crossover between intrinsic and extrinsic mechanisms of the anomalous Hall effect in epitaxial L1o FePd and FePt
We determine the composition of intrinsic as well as extrinsic contributions to the anomalous Hall effect (AHE) in the isoelectronic L1o FePd and FePt alloys. We show that the AHE signal in our 30 nm thick epitaxially deposited films of FePd is mainly due to extrinsic side-jump, while in the epitaxial FePt films of the...
0811.1258v3
2008-12-04
Exchange bias and its phase reversal in the zero magnetization admixed rare earth intermetallics
Exchange bias effect is an important attribute in several device applications. Traditionally, it is discussed as a form of exchange anisotropy at the interface between the ferromagnetic/antiferromagnetic layers of two distinct systems. We report here on the magnetically ordered alloys possessing the feature of unidirec...
0812.0929v1
2009-02-03
Model for the on-site matrix elements of the tight-binding hamiltonian of a strained crystal: Application to silicon, germanium and their alloys
We discuss a model for the on-site matrix elements of the sp3d5s* tight-binding hamiltonian of a strained diamond or zinc-blende crystal or nanostructure. This model features on-site, off-diagonal couplings between the s, p and d orbitals, and is able to reproduce the effects of arbitrary strains on the band energies a...
0902.0491v1
2009-02-12
Investigation of Sb diffusion in amorphous silicon
Amorphous silicon materials and its alloys become extensively used in some technical applications involving large area of the microelectronic and optoelectronic devices. However, the amorphous-crystalline transition, segregation and diffusion processes still have numerous unanswered questions. In this work we study the...
0902.2042v1
2009-03-12
Lifshitz Tails for Generalized Alloy Type Random Schrödinger Operators
We study Lifshitz tails for random Schr\"odinger operators where the random potential is alloy type in the sense that the single site potentials are independent, identically distributed, but they may have various function forms. We suppose the single site potentials are distributed in a finite set of functions, and we ...
0903.2105v2
2009-05-02
Further Comments on the replies given by Yoshihiko Yokoyama and Akihisa Inoue (Mater. Trans. 50 (2009) 2504-2506.) for Tsuyoshi Kajitani (Mater. Trans. 50 (2009) 2502-2503.)
Yokoyama and Inoue gabe their replies to eight questions raised by the present author with respect to their paper on "Production of Zr55Cu30Ni5Al10 glassy alloy rod of 30mm in diameter by a cap-cast technique" in 2007. Yokoyama and Inoue stressed in their reply that there were no inadequeate descriptions in their paper...
0905.0172v2
2009-05-14
Transformation kinetics of alloys under non-isothermal conditions
The overall solid-to-solid phase transformation kinetics under non-isothermal conditions has been modeled by means of a differential equation method. The method requires provisions for expressions of the fraction of the transformed phase in equilibrium condition and the relaxation time for transition as functions of te...
0905.2276v1
2009-05-25
Si-induced superconductivity and structural transformations in DyRh4B4
DyRh4B4 has been known to crystallize in the primitive tetragonal (pt)-structure and to exhibit a ferromagnetic transition at 12 K, the highest magnetic transition temperature in the entire series of the RRh4B4 materials [1]. We show here that our silicon-added samples of the nominal composition DyRh4B4Si0.2 exhibit su...
0905.4032v1
2009-06-04
Sensitivity of Ag/Al Interface Specific Resistances to Interfacial Intermixing
We have measured an Ag/Al interface specific resistance, 2AR(Ag/Al)(111) = 1.4 fOhm-m^2, that is twice that predicted for a perfect interface, 50% larger than for a 2 ML 50%-50% alloy, and even larger than our newly predicted 1.3 fOhmm^2 for a 4 ML 50%-50% alloy. Such a large value of 2ARAg/Al(111) confirms a predicted...
0906.0934v1
2009-06-29
Adaptive modulations of martensites
Modulated phases occur in numerous functional materials like giant ferroelectrics and magnetic shape memory alloys. To understand the origin of these phases, we review and generalize the concept of adaptive martensite. As a starting point, we investigate the coexistence of austenite, adaptive 14M phase and tetragonal m...
0906.5365v1
2009-07-29
Hafnium binary alloys from experiments and first principles
Despite the increasing importance of hafnium in numerous technological applications, experimental and computational data on its binary alloys is sparse. In particular, data is scant on those binary systems believed to be phase separating. We performed a comprehensive study of 44 hafnium binary systems with alkali metal...
0907.5131v1
2009-08-31
Lorentz microscopy mapping for domain walls structure study in L1$_0$ FePd thin films
Thin film alloys with perpendicular anisotropy were studied using Lorentz Transmission Electron Microscopy (LTEM). This work focuses on the configuration of domain walls and demonstrates the suitability and accuracy of LTEM for the magnetic characterisation of perpendicular magnetic anisotropy materials. Thin films of ...
0908.4463v1