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2002-10-25
Anisotropic and incommensurate spin fluctuations in hcp iron and some other nearly magnetic metals
We present an ab initio theoretical formalism for the static paramagnetic spin susceptibility of metals at finite temperatures. Since relativistic effects, e.g. spin-orbit coupling, are included, we can identify the anisotropy or easy axes of the spin fluctuations. Our calculations find hcp-iron to be unstable to in ab...
0210581v1
2002-11-15
The Korringa-Kohn-Rostoker Non-Local Coherent Potential Approximation (KKR-NLCPA)
We introduce the Korringa-Kohn-Rostocker non-local coherent potential approximation (KKR-NLCPA) for describing the electronic structure of disordered systems. The KKR-NLCPA systematically provides a hierarchy of improvements upon the widely used KKR-CPA approach and includes non-local correlations in the disorder confi...
0211328v2
2002-12-04
Chemical localization
Analysis of experimental data shows that the metal--insulator transition is possible in materials composed of atoms of only metallic elements. Such a transition may occur in spite of the high concentration of valence electrons. It requires stable atomic configurations to act as deep potential traps absorbing dozens of ...
0212097v1
2002-12-18
Synthesis, characterization and modeling of high quality ferromagnetic Cr-doped AlN thin films
We report a theoretical and experimental investigation of Cr-doped AlN. Density functional calculations predict that the isolated Cr t2 defect level in AlN is 1/3 full, falls approximately at midgap, and broadens into an impurity band for concentrations over 5%. Substitutional Al1-xCrxN random alloys with 0.05 <= x <= ...
0212459v1
2003-01-20
Modeling Melting in Binary Systems
A coarsened model for a binary system with limited miscibility of components is proposed; the system is described in terms of structural states in small parts of the material. The material is assumed to have two alternative types of crystalline local arrangements associated with two components of the alloy. Fluctuating...
0301342v1
2003-01-21
Kinetic Theory of the Overlapping Phase Transformations
Often a number of precipitation processes in steels and alloys occur simultaneously (they have the same origin in time) albeit at different rates. Consequently, isothermic transformations are accompanied, in this case, by the occurrence of second processes of precipitation that influence the changes of the macroscopic ...
0301391v1
2003-02-07
Phase-field study for the splitting mechanism of coherent misfitting precipitates in anisotropic elastic media
Coherent misfitting precipitates in elastically stressed media such as $\gamma \prime$ particles in nickel-based super-alloys show various splitting patterns such as doublets, quartets, or octets due to their misfit strain energy. While it is an interesting instability phenomenon defying conventional surface thermodyna...
0302139v1
2003-02-13
Does the thermal spike affect low-energy ion-induced interfacial mixing?
Molecular dynamics simulations have been used to obtain the three-dimensional distribution of interfacial mixing and cascade defects in Ti/Pt multilayer system due to single 1 keV $Ar^+$ impacts at grazing angle of incidence. The Ti/Pt system was chosen because of its relatively high heat of mixing in the binary alloy ...
0302262v3
2003-02-22
Huge enhancement of electronmechanical responses in compositionally modulated PZT
Monte Carlo simulations based on a first-principles-derived Hamiltonian are conducted to study the properties of PZT alloys compositionally modulated along the [100] pseudocubic direction near the morphotropic phase boundary (MPB). It is shown that compositional modulation causes the polarization to continuously rotate...
0302462v2
2003-03-11
The magnetic field influence on magnetostructural phase transition in Ni2.19Mn0.81Ga
Magnetic properties of a polycrystalline alloy Ni$_{2.19}$Mn$_{0.81}$Ga, which undergoes a first-order magnetostructural phase transition from cubic paramagnetic to tetragonal ferromagnetic phase, are studied. Hysteretic behavior of isothermal magnetization $M(H)$ has been observed in a temperature interval of the magn...
0303187v1
2003-03-11
In(1-x)Mn(x)Sb - a new narrow gap ferromagnetic semiconductor
A narrow-gap ferromagnetic In(1-x)Mn(x)Sb semiconductor alloy was successfully grown by low-temperature molecular beam epitaxy on CdTe/GaAs hybrid substrates. Ferromagnetic order in In(1-x)Mn(x)Sb was unambiguously established by the observation of clear hysteresis loops both in direct magnetization measurements and in...
0303212v1
2003-03-18
Properties and Curie Temperature (130 K) of Heavily Mn-doped Quaternary Alloy Ferromagnetic Semiconductor (InGaMn)As Grown on InP
We have studied magnetic properties of heavily Mn-doped [(In0.44Ga0.56)0.79Mn0.21]As thin films grown by low-temperature molecular-beam epitaxy (LT-MBE) on InP substrates. The (InGaMn)As with high Mn content (21%) was obtained by decreasing the growth temperature to 190 degC. When the thickness of the [(In0.44Ga0.56)0....
0303333v1
2003-03-26
Frozen Quasi Long Range Order in Random Anisotropy Heisenberg Magnet
Extensive Monte Carlo simulations are used to investigate the low-temperature properties of the random anisotropy Heisenberg model, which describes the magnetic behavior of amorphous rare-earth-transition metal alloy. We show that the low-temperature phase in weak-anisotropy region is characterized by a {\it frozen-in}...
0303552v4
2003-04-04
The easy axis of the magnetic response of the conduction electrons of yttrium and rare earths
We describe a scheme for first-principles calculations of the static, paramagnetic, spin susceptibility of metals with relativistic effects such as spin-orbit coupling included. This gives the direction for an applied modulated magnetic field to maximise its response. This easy axis depends on the modulation's wave-vec...
0304112v1
2003-04-10
First Investiation of magnetic ground states in the rare-earth intermetallic compounds RAl$_{0.9}$Si$_{1.1}$ (R = Ce, Pr, Gd)
We report the magnetic properties strongly varying with the rare-earth elements in the newly found ternary compounds $R$Al$_{0.9}$Si$_{1.1}$, which crystallize in the tetragonal $\alpha$-ThSi$_2$-type structure. For $R$ = Ce the alloy has a weak ferromagnetism below 11 K and for $R$ = Pr it orders ferromagnetically at ...
0304235v1
2003-04-11
Spin Manipulation of Free 2-Dimensional Electrons in Si/SiGe Quantum Wells
An important requirement for a physical embodiment of a quantum computer is that arbitrary single-qubit operations can be performed. In the case of spin-qubits, this means that arbitrary spin rotations must be possible. Here we demonstrate spin rotations of an ensemble of free 2-dimensional electrons confined to a sili...
0304284v1
2003-04-18
Training of the Ni-Mn-Fe-Ga ferromagnetic shape-memory alloys by cycling in a high magnetic field
The temperature and magnetic field dependencies of Ni-Mn-Ga polycrystals deformation are investigated. Ingots were prepared by arc-melting in argon atmosphere and further annealing. A training procedure (cycling across the martensitic transition point) for the two-way shape-memory effect was performed with Ni$_{2.16}$F...
0304425v1
2003-05-03
Synthesis of Single Phase Hg-1223 High Tc Superconducting Films With Multistep Electrolytic Process
We report the multistep electrolytic process for the synthesis of high Tc single phase HgBa2Ca2Cu3O8+&#61540; (Hg-1223) superconducting films. The process includes : i) deposition of BaCaCu precursor alloy, ii) oxidation of BaCaCu films, iii) electrolytic intercalation of Hg in precursor BaCaCuO films and iv) electroch...
0305059v1
2003-05-11
Electron transport and energy relaxation in dilute magnetic alloys
We consider the effect of the RKKY interaction between magnetic impurities on the electron relaxation rates in a normal metal. The interplay between the RKKY interaction and the Kondo effect may result in a non-monotonic temperature dependence of the electron momentum relaxation rate, which determines the Drude conduct...
0305240v1
2003-05-27
Probing a ferromagnetic critical regime using nonlinear susceptibility
The second order para-ferromagnetic phase transition in a series of amorphous alloys (Fe{_5}Co{_{50}}Ni{_{17-x}}Cr{_x}B{_{16}}Si{_{12}}) is investigated using nonlinear susceptibility. A simple molecular field treatment for the critical region shows that the third order suceptibility (chi{_3}) diverges on both sides of...
0305617v1
2003-07-18
Structures and electromagnetic properties of the A-site ordered/disordered manganites; RBaMn2O6/R0.5Ba0.5MnO3 (R = Y and rare earth elements)
The discovery of novel structural and physical properties in the $A$-site ordered manganite $R$BaMn$_2$O$_6$ ($R$ = Y and rare earth elements) has demanded new comprehension about perovskite manganese oxides. In the present study, the $A$-site disordered form $R$$_{0.5}$Ba$_{0.5}$MnO$_3$ was successfully synthesized an...
0307456v1
2003-07-18
Phonon scattering in quasicrystalline i-Al_{72}Pd_{19.5}Mn_{8.5}: A study of the low-temperature thermal conductivity
We measured the thermal conductivity of an icosahedral quasicrystal i-Al_{72}Pd_{19.5}Mn_{8.5} in the temperature range between 0.4 K and 300 K. The analysis of the low-temperature results was based on a Debye-type model. The results of the analysis for the two temperature regions of 0.4 K <T<40 K and 0.4 K <T<1 K, are...
0307458v2
2003-08-09
Phase field modeling of electrochemistry II: Kinetics
The kinetic behavior of a phase field model of electrochemistry is explored for advancing (electrodeposition) and receding (electrodissolution) conditions in one dimension. We described the equilibrium behavior of this model in [J. E. Guyer, W. J. Boettinger, J.A. Warren, and G. B. McFadden, ``Phase field modeling of e...
0308179v2
2003-08-14
Nanoscale-SiC doping for enhancing Jc and Hc2 in the Superconducting MgB2
The effect of nanoscale-SiC doping of MgB2 was investigated using transport and magnetic measurements. It was found that there is a clear correlation between the critical temperature Tc, the resistivity r, the residual resistivity ratio, RRR = R(300K)/R(40K), the irreversibility field H* and the alloying state in the s...
0308265v1
2003-08-19
Magnetization relaxation in (Ga,Mn)As ferromagnetic semiconductors
We describe a theory of Mn local-moment magnetization relaxation due to p-d kinetic-exchange coupling with the itinerant-spin subsystem in the ferromagnetic semiconductor (Ga,Mn)As alloy. The theoretical Gilbert damping coefficient implied by this mechanism is calculated as a function of Mn moment density, hole concent...
0308386v3
2003-09-04
Study of Crystal-field Effects in Rare-earth (RE) - Transition-metal Intermetallic Compounds and in RE-based Laser Crystals
Rare-earth (RE) based compounds and alloys are of great interest both for their fundamental physical properties and for applications. In order to tailor the required compounds for a specific task, one must be able to predict the energy level structure and transition intensities for any magnetic ion in any crystalline e...
0309100v1
2003-09-06
Impurities block the alpha to omega martensitic transformation in titanium
The onset and kinetics of martensitic transformations are controlled by impurities trapped during the transformation. For the alpha to omega transformation in Ti, ab initio methods yield the changes in both the relative stability of and energy barrier between the phases. Using the recently discovered transformation pat...
0309162v1
2003-09-10
Electron-Polarization Coupling in Superconductor-Ferroelectric Superlattices
We present a phenomenological model of periodic ferroelectric-superconductor (FE-S) heterostructures containing two alternating ferroelectric and superconducting layers. The interaction at the FE-S contacts is described as a coupling of the local carrier density of the superconductor with the spontaneous ferroelectric ...
0309250v2
2003-09-12
Proximity and Josephson effects in superconductor - antiferromagnetic Nb / γ-Fe50Mn50 heterostructures
We study the proximity effect in superconductor (S), antiferromagnetic (AF) bilayers, and report the fabrication and measurement of the first trilayer S/AF/S Josephson junctions. The disordered f.c.c. alloy \gamma-Fe50Mn50 was used as the AF, and the S is Nb. Micron and sub-micron scale junctions were measured, and the...
0309313v1
2003-09-20
Diluted II-VI Oxide Semiconductors with Multiple Band Gaps
We report the realization of a new multi-band-gap semiconductor. The highly mismatched alloy Zn1-yMnyOxTe1-x has been synthesized using the combination of oxygen ion implantation and pulsed laser melting. Incorporation of small quantities of isovalent oxygen leads to the formation of a narrow, oxygen-derived band of ex...
0309477v1
2003-10-14
The Elusive Bose Metal
The conventional theory of metals is in crisis. In the last 15 years, there has been an unexpected sprouting of metallic states in low dimensional systems directly contradicting conventional wisdom. For example, bosons are thought to exist in one of two ground states: condensed in a superconductor or localized in an in...
0310316v1
2003-10-17
A Hybrid Al(0.10)Ga(0.90)As/AlAs Bilayer Electron System
We have fabricated a device composed of two closely coupled two-dimensional electron systems, one of which resides within an AlAs quantum well (QW) at the X point of the Brillouin zone (BZ), while the other is contained at the $\Gamma$ point of the BZ in the alloy Al_{0.10}Ga_{0.90}As, grown directly below the AlAs QW....
0310434v2
2003-10-25
Temperature dependence of the coercive field in single-domain particle systems
The magnetic properties of Cu97Co3 and Cu90Co10 granular alloys were measured over a wide temperature range (2 to 300K). The measurements show an unusual temperature dependence of the coercive field. A generalized model is proposed and explains well the experimental behavior over a wide temperature range. The coexisten...
0310604v2
2003-10-31
A possible route to grow a (Mn:Si(1-x)Gex)-based diluted magnetic semiconductor
We systematically investigate, using ab initio density-functional theory calculations, the properties of interstitial and substitutional Mn in both Si and Ge, as well as in the Si(1-x)Gex alloy. We show that volume effects are not the main reason Mn prefers to be a subsitutional impurity in pure Ge, and chemical effect...
0310770v1
2003-12-05
On the fluctuations of jamming coverage upon random sequential adsorption on homogeneous and heterogeneous media
The fluctuations of the jamming coverage upon Random Sequential Adsorption (RSA) are studied using both analytical and numerical techniques. Our main result shows that these fluctuations (characterized by $\sigma_{\theta_J}$) decay with the lattice size according to the power-law $\sigma_{\theta_J} \propto L^{-1/ \nu}$...
0312171v1
2003-12-18
Reversibility Window, Aging, and Nanoscale Phase Separation in GexAsxS1-2x Bulk Alloy Glasses
The non-reversing enthalpy near Tg, DHnr, in bulk GexAsxS1-2x glasses is found to display a global minimum (~0) in the 0.11 < x < 0.15 range, the reversibility window. Furthermore, the DHnr term is found to age for glass compositions both below (x < 0.11) and above (x > 0.15) the window but not in the window. Glass com...
0312481v1
2004-01-22
Suppression of superconductivity by non-magnetic disorder in the organic superconductor (TMTSF)2(ClO4)(1-x)(ReO4)x
We present a study of the superconducting properties (Tc and Hc2) in the solid solution (TMTSF)2(ClO4)(1-x)(ReO4)x with a ReO-4 nominal concentration up to x = 6%. The dramatic suppression of Tc when the residual resistivity is increased upon alloying with no modification of the Fermi surface is the signature of non-co...
0401420v3
2004-01-28
Importance of Thermal Disorder on the Properties of Alloys: Origin of Paramagnetism and Structural Anomalies in Iron-Aluminum
The bcc-based Fe_{1-x}Al_{x} exhibit interesting magnetic and anomalous structural properties as a function of composition and sample processing conditions arising from thermal or off-stoichiometric chemical disorder, and, although well studied, these properties are not understood. In stoichiometric B2 FeAl, including ...
0401587v1
2004-01-30
Magnetoelectric Effects in Ferromagnetic Metal-Piezoelectric Oxide Layered Structures
Frequency dependence of magnetoelectric (ME) coupling is investigated in trilayers of ferromagnetic alloy and piezoelectric lead zirconate titanate (PZT). The ferromagnetic phases studied include permendur, a soft magnet with high magnetostriction, iron, nickel, and cobalt. Low frequency data on ME voltage coefficient ...
0401648v1
2004-02-24
A Collective Heavy Fermion State and Superconductivity in Pr$_{1-x}$La$_x$Os$_4$Sb$_{12}$: Specific Heat and Susceptibility Study
Low temperature susceptibility and specific heat for single crystals of Pr$_{1-x}$La$_x$Os$_4$Sb$_{12}$ (0 $\leq x$ $\leq 1$) are reported. La-doping leaves CEF energies of Pr essentially unchanged. The average $T_c$ is only weakly affected by the La-substitution and varies approximately linearly between the end-compou...
0402599v1
2004-04-06
Disorder, inhomogeneity and spin dynamics in f-electron non-Fermi liquid systems
Muon spin rotation and relaxation ($\mu$SR) experiments have yielded evidence that structural disorder is an important factor in many f-electron-based non-Fermi-liquid (NFL) systems. Disorder-driven mechanisms for NFL behaviour are suggested by the observed broad and strongly temperature-dependent $\mu$SR (and NMR) lin...
0404118v1
2004-04-27
High Field ESR Study of the pi-d Correlated Organic Conductor lambda-(BETS)2Fe0.6Ga0.4Cl4
Submillimeter and millimeter wave electron spin resonance (ESR) measurements of the pi-d correlated organic conductor lambda-(BETS)2Fe0.6Ga0.4Cl4 have been performed. Antiferromagnetic resonance (AFMR) has been observed in the insulating antiferromagnetic phase, and its frequency-field dependence can be reproduced by t...
0404645v1
2004-04-27
Viscoelastic model for the dynamic structure of binary systems
This paper presents the viscoelastic model for the Ashcroft-Langreth dynamic structure factors of liquid binary mixtures. We also provide expressions for the Bhatia-Thornton dynamic structure factors and, within these expressions, show how the model reproduces both the dynamic and the self-dynamic structure factors cor...
0404649v1
2004-04-30
The origin of the E+ transition in GaAsN alloys
Optical properties of GaAsN system with nitrogen concentrations in the range of 0.9-3.7% are studied by full-potential LAPW method in a supercell approach. The E+ transition is identified by calculating the imaginary part of the dielectric function. The evolution of the energy of this transition with nitrogen concentra...
0405004v1
2004-05-18
Genetic Programming for Multi-Timescale Modeling
A bottleneck for multi-timescale dynamics is the computation of the potential energy surface (PES). We explore the use of genetic programming (GP) to symbolically regress a mapping of the saddle-point barriers from only a few calculated points via molecular dynamics, thereby avoiding explicit calculation of all the bar...
0405415v1
2004-05-24
Enhancement of Critical Current Density in low level Al-doped MgB2
Two sets of MgB2 samples doped with up to 5 at. % of Al were prepared in different laboratories using different procedures. Decreases in the a and c lattice parameters were observed with Al doping confirming Al substitution onto the Mg site. The critical temperature (Tc) remained largely unchanged with Al doping. For 1...
0405567v1
2004-06-02
Suppression of the $γ-α$ structural phase transition in $Ce_{0.8} La_{0.1} Th_{0.1}$ by large magnetic fields
The $\gamma-\alpha$ transition in Ce$_{0.8}$La$_{0.1}$Th$_{0.1}$ is measured as a function of applied magnetic field using both resistivity and magnetization. The $\gamma - \alpha$ transition temperature decreases with increasing magnetic field, reaching zero temperature at around 56 T. The magnetic-field dependence of...
0406043v1
2004-06-10
Andreev reflection observation in Nb/FeSi/Nb and Nb/FeSi/Si/Nb Josephson junctions
Electrical properties of Josephson junctions Nb/FeSi/Nb with superconductor/ferromagnet (S/F)interfaces are presented. Due to Andreev reflection the nearly exact quadruple enhancement of the tunnel junction differential conductance compared with that of the normal state was achieved. The transparency of the S/F interfa...
0406242v1
2004-06-11
sin(2 phi) current-phase relation in SFS junctions with decoherence in the ferromagnet
We propose a theoretical description of the sin(2 phi) current-phase relation in SFS junctions at the 0-$\pi$ cross-over obtained in recent experiments by Sellier et al. [Phys. Rev. Lett. 92, 257005 (2004)] where it was suggested that a strong decoherence in the magnetic alloy can explain the magnitude of the residual ...
0406275v2
2004-06-22
Self-interaction correction in multiple scattering theory
We propose a simplified version of self-interaction corrected local spin-density (SIC-LSD) approximation, based on multiple scattering theory, which implements self-interaction correction locally, within the KKR method. The multiple scattering aspect of this new SIC-LSD method allows for the description of crystal pote...
0406515v3
2004-06-24
Surface layering of liquids: The role of surface tension
Recent measurements show that the free surfaces of liquid metals and alloys are always layered, regardless of composition and surface tension; a result supported by three decades of simulations and theory. Recent theoretical work claims, however, that at low enough temperatures the free surfaces of all liquids should b...
0406579v1
2004-06-30
Spin Polarization and Electonic Structure of Room-Curie Ferromagnetic Mn5Ge3 Epilayers
Germanium-based alloys hold great promise for future spintronics applications, due to their potential for integration with conventional Si-based electronics. Mn5Ge3 exhibits strong ferromagnetism up to the Curie temperature Tc~295K. We use Point Contact Andreev Reflection (PCAR) spectroscopy to measure the spin polariz...
0407001v1
2004-07-05
Influence of Trapping on the Exciton Dynamics of Al_xGa_1-xAs Films
We present a systematic study on the exciton relaxation in high purity AlGaAs epilayers. The time for the excitonic photoluminescence to reach its maximum intensity (t_max) shows a non-monotonic dependence on excitation density which is attributed to a competition between exciton localization and carrier-carrier scatte...
0407102v2
2004-07-13
Experimental X-Ray Studies of Liquid Surfaces
Over the past two decades synchrotron facilities dedicated to the generation of x-rays for study of atoms, molecules and condensed matter have proliferated all over the world. As a result of the special properties of x-rays produced by these machines, there has been an enormous growth in the experimental possibilities....
0407333v2
2004-07-26
Unusual structural tuning of magnetism in cuprate perovskites
Understanding the structural underpinnings of magnetism is of great fundamental and practical interest. Se_{1-x}Te_{x}CuO_{3} alloys are model systems for the study of this question, as composition-induced structural changes control their magnetic interactions. Our work reveals that this structural tuning is associated...
0407677v1
2004-07-29
Kondo Effect on Mesoscopic Scale (Review)
Following the discovery of the Kondo effect the bulk transport and magnetic behavior of the dilute magnetic alloys have been successfully described. In the last fifteen years new directions have been developed as the study of the systems of reduced dimensions and the artificial atoms so called quantum dots. In this rev...
0407766v1
2004-08-12
Electric field induced narrowing of exciton line width
Considering effects of electric field on the low temperature absorption line of quantum well excitons, we show that, for moderate strength of the electric field, the main contribution to the field dependence of the line-width results from field induced modifications of inhomogeneous broadening of excitons. We find that...
0408296v2
2004-08-31
On the role of electron correlation and disorder on persistent currents in isolated one-dimensional rings
To understand the role of electron correlation and disorder on persistent currents in isolated 1D rings threaded by magnetic flux $\phi$, we study the behavior of persistent currents in aperiodic and ordered binary alloy rings. These systems may be regarded as disordered systems with well-defined long-range order so th...
0408671v2
2004-09-08
Large tunneling anisotropic magnetoresistance in (Ga,Mn)As nanoconstrictions
We report a large tunneling anisotropic magnetoresistance (TAMR) in a thin (Ga,Mn)As epilayer with lateral nanoconstrictions. The observation establishes the generic nature of this effect, which originates from the spin-orbit coupling in a ferromagnet and is not specific to a particular tunnel device design. The latera...
0409209v1
2004-09-17
Photoluminescence pressure coefficients of InAs/GaAs quantum dots
We have investigated the band-gap pressure coefficients of self-assembled InAs/GaAs quantum dots by calculating 17 systems with different quantum dot shape, size, and alloying profile using atomistic empirical pseudopotential method within the ``strained linear combination of bulk bands'' approach. Our results confirm ...
0409442v1
2004-09-23
Crack (Non)Propagation in Amorphous Media
We study Mode I crack propagation in amorphous material via a molecular dynamics simulation of a binary alloy with pairwise central-force interactions. We find that when the system is subjected to constant displacement after introduction of a seed crack, the crack does not propagate. This was found to be true both for ...
0409607v1
2004-10-06
Sheared Solid Materials
We present a time-dependent Ginzburg-Landau model of nonlinear elasticity in solid materials. We assume that the elastic energy density is a periodic function of the shear and tetragonal strains owing to the underlying lattice structure. With this new ingredient, solving the equations yields formation of dislocation di...
0410151v1
2004-10-06
Magnetovolume instabilities in the pressure dependence of the K-edge circular dichroism of Fe3C Invar particles
The p-electrons of carbon in the interstitial compound Fe3C hybridize with the Fe d-band and enhance the valence electron concentration of Fe from 8 to 8.67. At this concentration, substitutional 3d transition metals and alloys exhibit strong moment-volume coupling phenomena and associated magnetovolume instabilities, ...
0410156v1
2004-10-20
Local environment of Nitrogen in GaN{y}As{1-y} epilayers on GaAs (001) studied using X-ray absorption near edge spectroscopy
X-ray absorption near-edge spectroscopy (XANES) is used to study the N environment in bulk GaN and in GaN{y}As{1-y} epilayers on GaAs (001), for y \~5%. Density-functional optimized structures were used to predict XANES via multiple-scattering theory. We obtain striking agreement for pure GaN. An alloy model with nitro...
0410514v1
2004-11-10
Interplay of Strain Relaxation and Chemically Induced Diffusion Barriers: Nanostructure Formation in 2D Alloys
We study the formation of nanostructures with alternating stripes composed of bulk-immiscible adsorbates during submonolayer heteroepitaxy. We evaluate the influence of two mechanisms considered in the literature: (i) strain relaxation by alternating arrangement of the adsorbate species, and (ii) kinetic segregation du...
0411271v1
2004-11-12
Effects of short-range order on the electronic structure of disordered metallic systems
For many years the Korringa-Kohn-Rostoker coherent-potential approximation (KKR-CPA) has been widely used to describe the electronic structure of disordered systems based upon a first-principles description of the crystal potential. However, as a single-site theory the KKR-CPA is unable to account for important environ...
0411347v2
2004-11-24
Electrical Spin Injection in Multi-Wall carbon NanoTubes with transparent ferromagnetic contacts
We report on electrical spin injection measurements on MWNTs . We use a ferromagnetic alloy Pd$_{1-x}$Ni$_{x}$ with x $\approx$ 0.7 which allows to obtain devices with resistances as low as 5.6 $k\Omega$ at 300 $K$. The yield of device resistances below 100 $k\Omega$, at 300 $K$, is around 50%. We measure at 2 $K$ a hy...
0411623v2
2004-12-13
Unusual thermoelectric behavior of packed crystalline granular metals
Loosely packed granular materials are intensively studied nowadays. Electrical and thermal transport properties should reflect the granular structure as well as intrinsic properties. We have compacted crystalline $CaAl$ based metallic grains and studied the electrical resistivity and the thermoelectric power as a funct...
0412323v1
2004-12-23
Large negative magnetoresistance in a ferromagnetic shape memory alloy : Ni_{2+x}Mn_{1-x}Ga
5% negative magnetoresistance (MR) at room temperature has been observed in bulk Ni_{2+x}Mn_{1-x}Ga. This indicates the possibility of using Ni_{2+x}Mn_{1-x}Ga as magnetic sensors. We have measured MR in the ferromagnetic state for different compositions (x=0-0.2) in the austenitic, pre-martensitic and martensitic phas...
0412646v3
2005-01-05
Band-edge diagrams for strained III-V semiconductor quantum wells, wires, and dots
We have calculated band-edge energies for most combinations of zincblende AlN, GaN, InN, GaP, GaAs, InP, InAs, GaSb and InSb in which one material is strained to the other. Calculations were done for three different geometries, quantum wells, wires, and dots, and mean effective masses were computed in order to estimate...
0501090v1
2005-01-19
Magnetism and Transport in YbMn2Sb2
A new ternary intermetallic compound, namely, YbMn2Sb2, has been synthesized and its magnetic and electrical transport properties have been studied in the temperature range of 2 to 300 K. This compound crystallizes in a trigonal, La2O2S type structure (space group P3bm1, No. 164) and is found to be ferromagnetically or...
0501450v1
2005-01-21
Velocity selection problem for combined motion of melting and solidification fronts
We discuss a free boundary problem for two moving solid-liquid interfaces that strongly interact via the diffusion field in the liquid layer between them. This problem arises in the context of liquid film migration (LFM) during the partial melting of solid alloys. In the LFM mechanism the system chooses a more efficien...
0501521v1
2005-02-13
Self-Organization and the Physics of Glassy Networks
Network glasses are the physical prototype for many self-organized systems, ranging from proteins to computer science. Conventional theories of gases, liquids, and crystals do not account for the strongly material-selective character of the glass-forming tendency, the phase diagrams of glasses, or their optimizable pro...
0502312v1
2005-02-14
Superconductivity induced by spark erosion in ZrZn2
We show that the superconductivity observed recently in the weak itinerant ferromagnet ZrZn2 [C. Pfleiderer et al., Nature (London) 412, 58 (2001)] is due to remnants of a superconducting layer induced by spark erosion. Results of resistivity, susceptibility, specific heat and surface analysis measurements on high-qual...
0502341v2
2005-03-02
Higher Order Spectra in Avalanche Models
Utilizing the Haar transform, we study the higher order spectral properties of mean field avalanche models, whose avalanche dynamics are described by Poisson statistics at a critical point or critical depinning transition. The Haar transform allows us to obtain a time series of noise powers, $H(f_1,t)$, that gives impr...
0503062v1
2005-03-30
Stability of ferromagnetism in the half-metallic pnictides and similar compounds: A first-principles study
Based on first-principles electron structure calculations and employing the frozen-magnon approximation we study the exchange interactions in a series of transition-metal binary alloys crystallizing in the zinc-blende structure and calculate the Curie temperature within both the mean-field approximation (MFA) and rando...
0503713v1
2005-04-08
Influence of copper on the electronic properties of amorphous chalcogenides
We have studied the influence of alloying copper with amorphous arsenic sulfide on the electronic properties of this material. In our computer-generated models, copper is found in two-fold near-linear and four-fold square-planar configurations, which apparently correspond to Cu(I) and Cu(II) oxidation states. The numbe...
0504207v1
2005-04-26
Electron-phonon interaction for adiabatic anharmonic phonons
A model with Holstein-like electron-phonon coupling is studied in the limit of adiabatic phonons. The phonon distribution is anharmonic with two degenerate maxima. This model can be related to fermions in a correlated binary alloy and describes microscopic phase separation. We discuss the weak and strong electron-phono...
0504688v2
2005-04-27
Temperature and particle size dependence of equilibrium order parameter of FePt
First, second and third nearest neighbor pair mixing potentials for equiatomic FePt alloys were calculated from first principles by the Connolly-Williams method within the canonical cluster expansion formalism. Using the mixing potentials obtained in this manner, the dependency of equilibrium L1_0 ordering on temperatu...
0504702v1
2005-04-28
Multiple scattering formalism for correlated systems: A KKR+DMFT approach
We present a charge and self-energy self-consistent computational scheme for correlated systems based on the Korringa-Kohn-Rostoker (KKR) multiple scattering theory with the many-body effects described by the means of dynamical mean field theory (DMFT). The corresponding local multi-orbital and energy dependent self-en...
0504760v1
2005-05-19
Comparison of Measured and Calculated Specific Resistances of Pd/Pt Interfaces
We compare specific resistances (AR equals area A times resistance R) of sputtered Pd/Pt interfaces measured in two different ways with no-free-parameter calculations. One way gives 2AR(Pd/Pt) of 0.29 (0.03) fohm-m(2) and the other 0.17 (0.13) fohm-m(2). From these we derive a best estimate of 2AR(Pd/Pt) of 0.28 (0.06)...
0505488v2
2005-05-25
Strong electron-phonon coupling in delta-phase stabilized Pu
Heat capacity measurements of the delta-phase stabilized alloy Pu-Al suggest that strong electron-phonon coupling is required to explain the moderate renormalization of the electronic density of states near the Fermi energy. We calculate the heat capacity contributions from the lattice and electronic degrees of freedom...
0505620v1
2005-06-29
Non-Fermi liquid states in the pressurized $CeCu_2(Si_{1-x}Ge_x)_2$ system: two critical points
In the archetypal strongly correlated electron superconductor CeCu$_2$Si$_2$ and its Ge-substituted alloys CeCu$_2$(Si$_{1-x}$Ge$_{x}$)$_2$ two quantum phase transitions -- one magnetic and one of so far unknown origin -- can be crossed as a function of pressure \cite{Yuan 2003a}. We examine the associated anomalous no...
0506773v2
2005-07-04
Suppression of ferromagnetism in URhGe doped with Ru
In the correlated metal URhGe ferromagnetic order (T_C = 9.5 K) and superconductivity (T_s= 0.25 K) coexist at ambient pressure. Here we report on alloying URhGe by Ru, which enables one to tune the Curie temperature to 0 K. URuGe has a paramagnetic ground state and is isostructural to URhGe. We have prepared a series ...
0507068v1
2005-07-11
Simulation and optimisation of terahertz emission from InGaAs and InP photoconductive switches
We simulate the terahertz emission from laterally-biased InGaAs and InP using a three-dimensional carrier dynamics model in order to optimise the semiconductor material. Incident pump-pulse parameters of current Ti:Sapphire and Er:fibre lasers are chosen, and the simulation models the semiconductor's bandstructure usin...
0507252v2
2005-07-20
Superconducting Proximity Effect through a Magnetic Domain Wall
We study the superconducting proximity effect in a superconductor-ferromagnet-superconductor (SFS) heterostructure, containing a domain wall in the ferromagnetic region. For the ferromagnet we assume an alloy with an exchange splitting of the conduction bands comparable to the superconducting gaps. We calculate the mod...
0507482v1
2005-07-29
ZnSe/GaAs(001) heterostructures with defected interfaces: structural, thermodynamic and electronic properties
We have performed accurate \emph{ab--initio} pseudopotential calculations for the structural and electronic properties of ZnSe/GaAs(001) heterostructures with interface configurations accounting for charge neutrality prescriptions. Beside the simplest configurations with atomic interdiffusion we consider also some conf...
0507724v2
2005-08-04
Direct observations of nucleation in a nondilute multicomponent alloy
The chemical pathways leading to gamma-prime(L1_2)-nucleation from nondilute Ni-5.2 Al-14.2 Cr at.%, gamma(f.c.c.), at 873 K are followed with radial distribution functions and isoconcentration surface analyses of direct-space atom-probe tomographic images. Although Cr atoms initially are randomly distributed, a distri...
0508117v3
2005-08-29
New limits on the ordered moments in alpha-Pu and Ga-stabilized delta-Pu
We present the first muon spin relaxation measurements ever performed on elemental Pu, and set the most stringent upper limits to date on the magnitude of the ordered moment in alpha-Pu and delta-stabilized Pu (alloyed with 4.3 at. % Ga). Assuming a nominal hyperfine coupling field of 1 kOe per Bohr magneton we set an ...
0508694v1
2005-08-31
Phase-field model for grain boundary grooving in multi-component thin films
Polycrystalline thin films can be unstable with respect to island formation (agglomeration) through grooving where grain boundaries intersect the free surface and/or thin film-substrate interface. We develop a phase-field model to study the evolution of the phases, composition, microstructure and morphology of such thi...
0508746v1
2005-10-13
The Mechanical Threshold Stress model for various tempers of AISI 4340 steel
Numerical simulations of high-strain-rate and high-temperature deformation of pure metals and alloys require realistic plastic constitutive models. Empirical models include the widely used Johnson-Cook model and the semi-empirical Steinberg-Cochran-Guinan-Lund model. Physically based models such as the Zerilli-Armstron...
0510330v1
2005-11-08
Nucleation and growth of second phase precipitates under non-isothermal conditions
The Langer-Schwartz equations for precipitation are formulated to calculate nucleation, growth and coarsening of second phase precipitates under non-isothermal situations. A field-theoretic steady-state nucleation rate model is used in the analysis. The field-theoretic nucleation rate is compared with the classical nuc...
0511201v1
2005-12-23
Magnetization-dependent $T_c$ shift in F/S/F trilayers with a strong ferromagnet
We have measured the superconducting transition temperature $T_c$ of Ni/Nb/Ni trilayers when the magnetizations of the two outer Ni layers are parallel (P) and antiparallel (AP). The largest difference in $T_c$ occurs when the Nb thickness is just above the critical thickness at which superconductivity disappears compl...
0512623v1
2006-01-04
Prospect for room temperature tunneling anisotropic magnetoresistance effect: density of states anisotropies in CoPt systems
Tunneling anisotropic magnetoresistance (TAMR) effect, discovered recently in (Ga,Mn)As ferromagnetic semiconductors, arises from spin-orbit coupling and reflects the dependence of the tunneling density of states in a ferromagnetic layer on orientation of the magnetic moment. Based on ab initio relativistic calculation...
0601071v1
2006-01-05
Anisotropic self-affine properties of experimental fracture surfaces
The scaling properties of post-mortem fracture surfaces of brittle (silica glass), ductile (aluminum alloy) and quasi-brittle (mortar and wood) materials have been investigated. These surfaces, studied far from the initiation, were shown to be self-affine. However, the Hurst exponent measured along the crack direction ...
0601086v1
2006-01-09
Quantum transport of slow charge carriers in quasicrystals and correlated systems
We show that the semi-classical model of conduction breaks down if the mean free path of charge carriers is smaller than a typical extension of their wavefunction. This situation is realized for sufficiently slow charge carriers and leads to a transition from a metallic like to an insulating like regime when scattering...
0601145v2
2006-01-12
Two-Dimensional Electron Gas in InGaAs/InAlAs Quantum Wells
We designed and performed low temperature DC transport characterization studies on two-dimensional electron gases confined in lattice-matched In$_{0.53}$Ga$_{0.47}$As/In$_{0.52}$Al$_{0.48}$As quantum wells grown by molecular beam epitaxy on InP substrates. The nearly constant mobility for samples with the setback dista...
0601256v1
2006-02-02
Electron transmission between normal and heavy electron metallic phases in a Kondo lattice system
The interface between a heavy electron coherent metallic phase and an incoherent normal metal phase is discussed. The Fermi momentum mismatch between the two phases causes the carriers to scatter at the interface. The interface conductance is a monotonous increasing function of conduction electron density, n_c, and is ...
0602060v2
2006-02-19
Re-entrant superconductivity in Nb/Cu(1-x)Ni(x) bilayers
We report on the first observation of a pronounced re-entrant superconductivity phenomenon in superconductor/ferromagnetic layered systems. The results were obtained using a superconductor/ferromagnetic-alloy bilayer of Nb/Cu(1-x)Ni(x). The superconducting transition temperature T_{c} drops sharply with increasing thic...
0602448v1
2006-02-26
Strong temperature dependence of antiferromagnetic coupling in CoFeB/Ru/CoFeB
The temperature dependence of saturation and spin-flop fields for artificial ferrimagnets (AFi) based on antiparallel coupled CoFeB/Ru/CoFeB trilayers has been investigated in a temperature range between 80K and 600K. The results presented in this paper are relevant for magnetic devices using this system, e.g. magnetic...
0602609v2