Related papers: Non-substitutional single-atom defects in the Ge_(…

The electronic specific heat of as-grown and annealed single-crystals of FeSe1-xTex (0.6<=x<=1) has been investigated. It has been found that annealed single-crystals with x=0.6-0.9 exhibit bulk superconductivity with a clear specific-heat…

In this work we have applied the recently formulated self-compressed inhomogeneous stabilized jellium model [M. Payami and T. Mahmoodi, Can. J. Phys. {\bf 89}, 967 (2011)] to describe the equilibrium electronic and geometric properties of…

Group IV alloys of GeSn have gained significant attention for electronic and optoelectronic applications on a Si platform due to their compatibility with existing CMOS technology, tunable band structure, and potential for a direct bandgap…

We report density functional studies of the Fe$_{1-x}$Cu$_x$Se alloy done using supercell and coherent potential approximation methods. Magnetic behavior was investigated using the disordered local moment approach. We find that Cu occurs in…

The local structure of superconducting single crystals of K0.8Fe1.6+xSe2 with Tc = 32.6 K was studied by x-ray absorption spectroscopy. Near-edge spectra reveal that the average valence of Fe is 2+. The room temperature structure about the…

Even if the atoms of a multicomponent alloy occupy a common lattice, their distribution is not homogeneous, and regions with different compositions can be detected. Three representative examples will be discussed: a Cantor-type system…

We have studied the electronic structure of the diluted magnetic semiconductor Ga$_{1-x}$Mn$_{x}$N ($x$ = 0.0, 0.02 and 0.042) grown on Sn-doped $n$-type GaN using photoemission and soft x-ray absorption spectroscopy. Mn $L$-edge x-ray…

Structural, electronic and optical properties of Cu2ZnSn(SxSe1-x)4 semiconductors are studied theoretically for different concentration of S and Se anions. The optical properties are calculated at three levels of theory, in the generalized…

We present low-temperature volume thermal expansion, $\beta$, and specific heat, $C$, measurements on high-quality single crystals of CeNi2Ge2 and YbRh2(Si$_{0.95}$Ge$_{0.05}$)$_2$ which are located very near to quantum critical points. For…

The alleged existence of sluggish diffusion in high entropy alloys has drawn controversy. In high entropy alloys, and in general in all solids, transport properties are controlled by point defect concentration, which must be known before…

The dilute-nitride ternary compound GaP$_{1-x}$N$_{x}$ is highly attractive to monolithically integrate pseudomorphic red light-emitting devices and photovoltaic cells with the standard Si technology because it is lattice matched to Si with…

The mixed ionic-electronic conductor $\beta$-Zn$_4$Sb$_3$ is a cheap and high performing thermoelectric material, but under operating conditions with a temperature gradient and a running current, the material decomposes as Zn readily…

The transformation between the metallic ($\beta$) and semi-conducting ($\alpha$) allotropes of tin is still not well understood. The phase transition temperature stated in the literature, 286.2 K, seems to be inconsistent with recent…

Spin qubits are fundamental building blocks of modern quantum computing devices. The path of Ge-based hole-spin qubits has several advantages over Si-based electron-spin systems, such as the absence of valley band degeneracy, the…

Large-scale atomistic calculations, using empirical potentials for modeling semiconductors, have been performed on a stressed system with linear surface defects like steps. Although the elastic limits of systems with surface defects remain…

Two intermetallic FeAl compounds with Al content of 70.68 and 72.17 at.pct were studied using M\"ossbauer spectroscopy (5 to 296 K) and X-ray diffraction (15 to 300 K). The compounds were found to crystallize in the orthorhombic Cmcm space…

Rational material design by elemental substitution is useful in tailoring materials to have desirable properties. Here we consider three non-equivalent substitutional series based on Co$_2$FeGe, viz; (Co$_{2-\alpha}$Mn$_\alpha$)FeGe,…

Half-Heusler (HH) alloys are potential thermoelectric materials for use at elevated temperatures due to their high Seebeck coefficient and superior mechanical and thermal stability. However, their enhanced lattice thermal conductivity is…

Whereas exceptional mechanical and radiation performances have been found in the emergent medium- and high-entropy alloys (MEAs and HEAs), the importance of their complex atomic environment, reflecting diversity in atomic size and…

We report the electrical resistivity, Hall coefficient, thermoelectric power, specific heat, and thermal conductivity on single crystals of the type-VIII clathrate Ba8Ga16Sn30 grown from Sn-flux. Negative S and R_H over a wide temperature…