Related papers: Heat Capacity of PbS: Isotope Effects
Zinc sulfide is a wide bandgap semiconductor which crystallizes in either the wurtzite modification (a-ZnS), the zincblende modification (b-ZnS) or as one of several similar tetrahedrally coordinated polytypes. In this work, we report a…
The recent discovery of high-temperature superconductivity in single-layer iron selenide has generated significant experimental interest for optimizing the superconducting properties of iron-based superconductors through the lattice…
First-principles calculations using the plane-wave pseudopotential method within the generalized gradient approximation method were performed to study the pressure dependence of the structural, elastic, electronic and optical properties for…
Temperature dependence of the electron spin $g$ factors in bulk CdTe and InP are calculated and compared with experiment. It is assumed that the only modification of the band structure related to temperature is a dilatation change in the…
Sodium chloride (NaCl), or rocksalt, is well characterized at ambient pressure. Due to the large electronegativity difference between Na and Cl atoms, it has highly ionic chemical bonding, with stoichiometry 1:1 dictated by charge balance,…
We report high-resolution X-ray Absorption Near Edge Structure (XANES) measurements at the Mn K-edge as a function of temperature, for La$_{1-x}$Ca$_x$MnO$_3$ samples, with a focus mainly on the pre-edge region. Small peaks labeled…
Despite the large number of theoretical III-V semiconductor studies reported every year, our atomistic understanding is still limited. The limitations of the theoretical approaches to yield accurate structural and electronic properties on…
Superconductors have the potential to revolutionize technology due to their ability to have zero electrical resistance. However, superconductor materials require either low temperatures or high pressures to function in a superconductive…
The discoveries of superconductivity in the heavily-boron doped semiconductors diamond (C:B) in 2004 and silicon (Si:B) in 2006 have renewed the interest in the physics of the superconducting state of doped semiconductors. Recently, we…
A relation between the energy of an elementary `insulating' excitation corresponding to the metal-insulator transition and the bandgap width in a semiconductor is obtained. An effect of atomic relaxation on the temperature and pressure…
Pseudobinary heterostructural alloys of ZnO with MgO or CdO are studied by composing the system locally of clusters with varying ratio of cations. We investigate fourfold (wurtzite structure) and sixfold (rocksalt structure) coordination of…
We report first principles calculations of the structural, electronic, elastic and vibrational properties of the semiconducting orthorhombic ZnSb compound. We study also the intrinsic point defects in order to eventually improve the…
The remarkable finding of this work is the linear correlation between the critical temperature of superconducting (SC) transition, Tc, and the room-temperature half-width of angular correlation of positron annihila- tion phonons (ACPAP),…
The temperature dependence of the magnetic specific heat has been studied experimentally and theoretically in the semimagnetic semiconductor Pb_{1-x}Eu_{x}Te for x=0.027 and x=0.073, over the temperature range from 0.5 K to 10 K, in…
We report a comparative study of temperature-dependent photoluminescence and structural dynamics of two perovskite semiconductors, the chalcogenide BaZrS$_3$ (BZS) and the halide CsPbBr$_3$ (CPB). These materials have similar crystal…
The temperature dependence of the number density of elementary excitations in a semiconductor with account for the temperature dependence of the band gap is obtained. A local lattice distortion within a crystalline domain is discussed.
Despite the tremendous interest in halide perovskites in solar cells, the reason that the all-inorganic perovskite CsPbI$_3$ is unstable at room temperature remains mysterious. Here single-crystal X-ray diffraction and powder pair…
The work functions of 7Li and 6Li metals have been measured as a function of temperature, by using photoionization of pure isolated metal nanoparticles in a beam. These data reveal a marked isotope effect in the temperature variation of…
The measured value of effective electric permittivity \varepsilon_{eff} of several compounds, e.g., (BiNa)(MnNb)O_{3}, (BiPb)(MnNb)O_{3}, and BiMnO_{3} increases from a value \approx 10-100 at the low temperature range (100-300 K) up to the…
Using two first-principles computer simulation techniques, path integral Monte-Carlo and density functional theory molecular dynamics, we derive the equation of state of magnesium in the regime of warm dense matter, with densities ranging…