Related papers: Dielectric function of CuBr$_\mathrm{x}$I$_{1-\mat…
We have investigated the optical properties of thin films of topological insulators Bi$_{2}$Te$_{3}$, Bi$_{2}$Se$_{3}$ and their alloys Bi$_2$(Te$_{1-x}$Se$_x$)$_3$ on BaF$_{2}$ substrates by a combination of infrared ellipsometry and…
We studied the band structure of NdFeAs$_{1-x}$P$_{x}$O$_{0.9}$F$_{0.1}$ ($x$ = 0, 0.2, 0.4 and 0.6) using angle-resolved photoemission spectroscopy (ARPES) measurements. Two of the hole bands, ${\alpha}_1$ $(d_{xz})$ and ${\alpha}_3$…
Electronic structure calculations using the augmented spherical wave method have been performed for CuRhO2. For this semiconductor crystallizing in the delafossite structure, it is found that the valence band maximum is mainly due to the 4d…
We have studied the electronic band properties of 2H-SiC and 4H-SiC silicon carbide polytypes. The structures of the electronic bands and density of state (DOS) using ab initio Density Functional Theory (DFT) were calculated for the first…
We derive a dielectric-dependent hybrid functional which accurately describes the electronic properties of heterogeneous interfaces and surfaces, as well as those of three- and two-dimensional bulk solids. The functional, which does not…
In order to achieve quantum interference of free electrons inside a solid, we have modified the geometry of the solid so that de Broglie waves interfere destructively inside the solid. Quantum interference of de Broglie waves leads to a…
Recently, the films of the Ruddlesden-Popper (RP) nickelate superconductors, in which the (La,Pr)$_3$Ni$_2$O$_7$ system exhibits a remarkable transition temperature $T_c$ exceeding 40 K, were synthesized at ambient pressure. We…
A set of electron-correlation energies as large as 10 eV have been measured for a magnetic 2ML Fefilm deposited on Ag(001). By exploiting the spin selectivity in angle-resolved Auger-photoelectroncoincidence spectroscopy and the…
Thin films are a prerequisite for application of the emergent exotic ground states in iridates that result from the interplay of strong spin-orbit coupling and electronic correlations. We report on pulsed laser deposition of…
To understand the effect of isoelectronic substitution on thermoelectric properties of TiCoSb based half - Heusler (HH) alloys, we have systematically studied the transport properties with substitution of Zr at Ti and Bi at Sb sites. The…
In this study, we employ density functional theory (DFT) to investigate the structural and electronic properties B$_8$Cu$_3^-$ clusters -- boron-based frameworks doped with three copper atoms. The results indicate that the lowest-energy…
Relaxor ferroelectric PbMg_1/3Ta_2/3O_3 ceramics and thin films were investigated by means of broad-band dielectric, time-domain terahertz (THz) and Fourier-transform infrared (IR) spectroscopy in the frequency range 100 Hz - 90 THz at…
Pb_1.83Mg_0.29Nb_1.71O_6.39 (PMN) crystallizing in a cubic pyrochlore structure exhibits, as the first dielectrics with pyrochlore structure, typical feature of quantum paraelectrics - its permittivity continuously increases on cooling and…
We study the dielectric function of the homogeneous hole gas in p-doped zinc-blende III-V bulk semiconductors within random phase approximation with the valence band being modeled by Luttinger's Hamiltonian in the spherical approximation.…
The elastic properties of paramagnetic cubic B1 (c-) Cr1-xAlxN ternary alloys are studied using stress-strain and energy-strain methods within the framework of Density Functional Theory (DFT). A strong compositional dependence of the…
We have investigated the electronic structure of Ba3InIr2O9 within the density-functional theory (DFT) using the generalized gradient approximation while considering strong Coulomb correlations (GGA+$U$) in the framework of the fully…
We study the problem of dielectric response in the strong coupling regime of a charge transfer insulator. The frequency and wave number dependence of the dielectric function $\epsilon ({\bf q},\omega)$ and its inverse $\epsilon ^{-1}({\bf…
Using the hybrid exchange-correlation functional within the density-functional theory, we have systematically investigated the structural and electronic properties of MO (M = Be, Mg, Ca, Sr, Ba, Zn, Cd) in binary rocksalt (B1), zincblende…
Dielectric response as a function of frequency for high-permittivity dielectric and ferroelectric materials is discussed emphasizing the dynamic behaviour in the microwave and infrared range. After introducing the usual modelling of the…
A new amorphous alloy system $(TiZrNbCu)_{1-x}Co_x$ covering a broad composition range from the high-entropy (HEA) to Co rich alloys (x$\leqslant$ 0.43) has been fabricated, characterized and investigated. A comprehensive study of the…