The present study contains the information about the spin polarization, structural, optical and
mechanical behavior of KXF 3 (X= Ir, Rh) compounds, which were ascertained using method …

The electronic and magnetic properties of Cr-doped Cd-Chalcogenides, Cd1− xCrxZ (Z= S,
Se and Te) for dopant concentration, x= 0.25 and 0.125 are presented in order to search …

The first principle study of half-Heusler compounds RhCrZ (Z= Si, Ge) is performed in the
framework of density functional theory (DFT). The compounds are found to have small band …

For investigating the structural, electronic and magnetic properties of zincblende (ZB) Cd1−
xVxTe (0≤ x≤ 1), we have employed the Wu–Cohen generalized gradient approximation …

First principles calculations using the self-consistent full-potential linearized augmented
plane wave (FPLAPW) method in the framework of density functional theory (DFT) were …

Abstract Half-Heusler alloys RuMnZ (Z= P, As) are studied in the framework of Density
Functional Theory (DFT). Structural, electronic, magnetic, and optical properties are …

The zinc zirconate ZnZrO 3 perovskite have been studied with respect to their physical
properties by inducing pressure upto20 GPa. The predicted value of lattice constant for …

First-principle calculations based on the density functional theory for new half-Heusler IrCrZ
(Z= Ge, As, Sn and Sb) alloys are performed. It is found that the half-Heusler IrCrGe and …

In this paper, the physical aspects of the cubic phase XCrO 3 (X= Ca, Sr, Ba) perovskites are
studied by employing full-potential linearized augmented plane wave plus local orbital (FP …

The structural, electronic, optical, thermodynamic and thermoelectric properties of double
perovskites Ba2MTaO6 (M= Er, Tm) have been studied. These alloys stabilize in cubic …