In this work, we collect absorption and emission spectra for Fe 2+ ions in zinc selenide (Fe:
ZnSe) and identify trends from 10.5 to 300 K in absorption and from 5 to 300 K in emission …

A systematic first‐principles investigation, by using the density functional formalism with the
nonlocal B3 LYP approximation including a long‐range dispersion correction, has been …

Lanthanide AB 2 intermetallic compounds known as Laves phases have itinerant 3d and
localized 4f electrons, which lead to interesting physical properties such as magnetic …

Extended x-ray absorption fine structure (EXAFS) at the Cd K edge and diffraction patterns
have been measured on CdTe as a function of pressure from 100 kPa (1 bar) to 5 GPa using …

Within the framework of first-principles, all II-VI semiconductors with cubic zinc blende
structure have negative thermal expansion (NTE) behavior at low temperatures. Negative …

In this paper, the composition-dependent electronic-structure and thermodynamic properties
for hexagonal wurtzite (WZ) and face-centered cubic zincblende (ZB) ZnS 1− x Se x ternary …

In this article, we present the electronic structure and magnetic properties of Zn (1-x) Tm x Se
(Tm= Fe, V) by density functional theory (DFT) as employed in a quantum espresso. The …

In this article, density functional theory is used to explore the electronic structure, phonon,
and magnetic properties of Zn (1− x) FexSe (for x= 0%, 6.25%, 12.5%, 25%, and 50%). The …

In this article, we studied the structural, electrical, lattice vibrational, and magnetic properties
of the quaternary compound Zn (1− x) Fe x Se y Te (1− y) using density functional theory. All …

The random Zn 1-x Be x Se zincblende alloy is known to exhibit a peculiar three-mode
[1×(Zn-Se), 2×(Be-Se)] vibration pattern near the Brillouin zone (BZ) center, of the so-called …