Materials Literature
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We study the spin dependent tunneling of electrons through a zinc-blende semiconductor with the indirect X (or D) minimum serving as the tunneling barrier. The basic difference between tunneling through the G vs. the X barrier is the linear-k spin-orbit splitting of the two spin bands at the X point, as opposed to the…
The static resistivity of dense Al and Au plsmas are calculated where all the needed inputs are obtained from density functional theory (DFT). This is used as input for a study of the dynamic conductivity. These calculations involve a self-consistent determination of (i) the equation of state (EOS) and the ionization…
First principles calculations based on density functional theory, both with the local density approximation (LDA) and with generalised gradient corrections (GGA), and the projector augmented wave method, have been used to simulate solid and liquid MgO in direct coexistence in the range of pressure $0\le p \le 135$ GPa…
The charge transport behaviors of parallel double single electron transistors (SETs) are investigated by the Anderson model with two impurity levels. The nonequilibrium Keldysh Green's technique is used to calculate the current-voltage characteristics of system. For SETs implemented by quantum dots (QDs) embedded into…
The equilibrium phase behavior of a binary mixture of charged colloids and neutral, non-adsorbing polymers is studied within free-volume theory. A model mixture of charged hard-sphere macroions and ideal, coarse-grained, effective-sphere polymers is mapped first onto a binary hard-sphere mixture with non-additive diam…
A series of superlattices and trilayers composed of ferromagnetic and ferroelectric or paraelectric layers were grown on (100) SrTiO3 by the pulsed-laser deposition technique. Their structural and magnetoelectric properties were examined. The superlattices made of ferromagnetic Pr0.85Ca0.15MnO3 (PCMO) and a ferroelect…
We investigate the behavior of the slip length in Newtonian liquids subject to planar shear bounded by substrates with mixed boundary conditions. The upper wall, consisting of a homogenous surface of finite or vanishing slip, moves at a constant speed parallel to a lower stationary wall, whose surface is patterned wit…
The Schiff base complexes [Tb3L4(H2O)2]Cl and [Tb3L3(OAc)2Cl] both have unusual multi-decker architectures formed via intramolecular pi-pi interactions between phenylene units.
An efficient method of interpretation of the crystal field effect in non-metallic f-electron systems, the {\it enhanced angular overlap model} (EAOM), is presented. The method is established on the ground of perturbation expansion of the effective Hamiltonian for localized electrons and first principles calculations r…
The changes in the electronic properties of the substitutionally disordered MgC(Ni_{1-x}T_{x})_{3} (T=Fe, Co or Cu) alloys are studied using the atomic sphere formulation of the Korringa-Kohn-Rostoker coherent-potential approximation method (KKR-ASA CPA), while the effects of incipient magnetism in these alloys are st…
We revisit the most widely investigated and controversial oxide diluted magnetic semiconductor (DMS), Co:TiO2, with a new high temperature film growth, and show that the corresponding material is not only an intrinsic DMS ferromagnet, but also supports a percolative mechanism of ferromagnetism. We establish the unifor…
Structural analysis of a layered manganese tungstate diaminoalkane hybrid series suggests that this compound forms a spin-5/2 spin-ladder structure. We use X-ray diffraction, electron microscopy and x-ray absorption spectroscopy results to infer the structure. DC magnetization of the manganese compound and a possible…
The Raman scattering behavior of anatase nanocrystals with average diameters of 4, 8, 20, and 34 nm has been compared with bulk crystal data in order to establish size-dependent changes to the phonon spectrum at ambient conditions. Further, the high-pressure behavior of the anatase nanocrystals was examined at room-te…
By the use of classical atomistic molecular dynamics simulations, we demonstrate that paracetamol molecules exist in a highly ordered phase in the presence of a glycogen substrate at 317 K whereas the paracetamol fluid exists in an isotropic phase in the absence of the glycogen substrate at the same temperature. This…
In design of partial discharge (PD) diagnostic systems, finding a set of features corresponding to an optimal classification performance (accuracy and reliability) is critical. A diagnostic system designer typically does not have much difficulty to obtain a decent number of features by applying different feature extra…
The microstructure and the hard magnetic properties of the melt-spun (Fe1−xPtx)78Zr4B18 (x=0.385, 0.45, 0.50, and 0.55) nanocrystalline alloys have been investigated. The ordered L10-FePt phase with a grain size smaller than the critical single domain size is directly formed by rapidly quenching of the alloy melt with…
Using in situ infrared absorption spectroscopy, the behavior of the film precursors, tris(dipivaloylmethanato)lanthanum [La(DPM)3], tris(dipivaloylmethanato)manganese [Mn(DPM)3], and bis(dipivaloylmethanato)strontium [Sr(DPM)2], in the gas phase was investigated under actual chemical vapor deposition conditions of man…
We have studied losses of microwave electromagnetic radiation in granular amorphous hydrogenated carbon films a-C:H(Co) containing cobalt nanoparticles at cobalt concentrations below the percolation threshold and in the percolation threshold region. The difference between the experimental values of the losses in granu…
The structural transformation from the metastable disordered TbCu7-type SmCo7 structure to the equilibrium ordered Th2Zn17-type Sm2Co17 structure was revealed by x-ray diffraction analysis using Reitveld refinement. The magnetic properties depended strongly on the stage of the transformation, as the coercivity strongl…
Abstract Electropolymerization of pyrrole‐3‐acetic acid was performed by cyclic voltammetry on titanium and Ti90Al6V4 substrates with the aim of developing a multilayer structure for applications in advanced biomaterials. The polymeric films obtained were characterized by both XPS and time‐of‐flight secondary ion mass…