Related papers: Non-substitutional single-atom defects in the Ge_(…
Superconducting transition temperature $T_C$ of some of the cubic $\beta$-phase Mo$_{1-x}$Re$_x$ alloys with x > 0.10 is an order of magnitude higher than that in the elements Mo and Re. We investigate this rather enigmatic issue of the…
The properties of liquid Si-Ge binary systems at melting conditions deviate from those expected by the ideal alloy approximation. Particularly, a non-linear dependence of the dielectric functions occurs with the reflectivity of liquid Si-Ge…
Crystallographic defects in a topological semimetal can result in charge doping, and the scattering due to the defects may mask its exotic transport properties. Here, we investigate the possible crystallographic defects including vacancy…
We studied the structural and magnetic properties of the solid solution Fe$_{1-x}$Ni$_{x}$B through theoretical and experimental approaches. Powder X-ray diffraction, X-ray Pair Distribution Function analysis, and energy dispersive X-ray…
We report here the structural, electrical and magnetic properties of as-cast V$_{1-x}$Zr$_x$ alloys ($x$ =0 - 0.4) at low temperatures. We observe that all the alloys undergo successive peritectic and eutectic reactions during cooling from…
Lattices with a basis can host crystallographic defects which share the same topological charge (e.g.~the Burgers vector $\vec b$ of a dislocation) but differ in their microscopic structure of the core. We demonstrate that in insulators…
Designing molecular organic semiconductors with distinct frontier orbitals is key for the development of devices with desirable properties. Generating defined organic nanostructures with atomic precision can be accomplished by on-surface…
Using the Korringa-Kohn-Rostoker coherent-potential approximation in the atomic-sphere approximation (KKR-ASA CPA) we have studied the changes in the electronic structure and the superconducting transition temperature T_{c} in Nb_{1-x}B_{2}…
Applying the approximate DFT-1/2 quasiparticle scheme, band structure unfolding, and generalized quasichemical approximation to describe chemical and structural disorder, we investigate the electronic structure of Bi$_{1-x}$Sb$_x$ alloys…
The superconductor Sn_{1-x}In_{x}Te is a doped topological crystalline insulator and has become important as a candidate topological superconductor, but its superconducting phase diagram is poorly understood. By measuring about 50 samples…
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 compositional dependence of the lowest direct and indirect band gaps in $\text{Ge}_{1-y}\text{Sn}_{y}$ has been determined from room-temperature photoluminescence measurements. This technique is particularly attractive for a comparison…
Using \textit{ab initio} calculation, we investigate systematically the structural and electronic properties of Ni$_{2}$Nb$_{1+x}$Sn$_{1-x}$ ($x$ = 0, 0.25, 0.50). Here, projector augmented wave approach (PAW) implemented in the Vienna…
We have calculated $\beta^-$ decay rates to the continuum and bound states of some fully ionized atoms in the stellar s-process environment having free electron density and temperature in the range $n_e = 10^{26} $ cm$^{-3} - 10^{27} $…
Defects ~10 nm in size, with number densities ~10^{10} cm^{-2}, form spontaneously beneath ion-milled, etched, or HF-dipped silicon surfaces examined in our Ti-ion getter-pumped transmission electron microscope (TEM) after exposure to air.…
The binary compound SnSe exhibits record high thermoelectric performance, largely because of its very low thermal conductivity. The origin of the strong phonon anharmonicity leading to the low thermal conductivity of SnSe is investigated…
We show that quantum confinement in the valence and conduction bands of semiconducting single-walled carbon nanotubes can be engineered by means of artificial defects. This ability holds potential for designing future nanotube-based quantum…
The standard variational derivation of stellar matter structure in the Wigner-Seitz approximation is generalized to the finite temperature situation where a wide distribution of different nuclear species can coexist in the same density and…
We investigate the synthesis of 340-nm-thick Sc$_x$Al$_{1-x}$N layers with $0 \leq x \leq 0.35$ on AlN-buffered Si(111) by plasma-assisted molecular beam epitaxy. We employ an AlN nucleation layer under conditions giving rise to…
We study low-salt, binary aqueous suspensions of charged colloidal spheres of size ratio Phi = 0.57, number densities below the eutectic number density n_E, and number fractions of p = 1.00-0.40. The typical phase obtained by solidification…