A first-principles approach is used to study the structural, electronic and magnetic properties
of Sr 2 GdReO 6, using full-potential linearized augmented plane wave (FP-LAPW) method …

In this article, we have studied the structural, electronic, magnetic and thermodynamic
properties of alkaline earth based cubic perovskites PbXO 3 (X= Mg, Ca, Sr). To study the …

Within the framework of density functional theory, the electronic structure and magnetic
properties have been studied for the CoMnCrSb quaternary Heusler compound. Features …

Structural stability, half-metallicity, magnetism and elastic properties of the Mn 2 CoP and Mn
2 CoAs full-Heusler compounds are investigated using the density functional theory (DFT) …

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 …

Structural, electronic, magnetic and elastic characteristics of do half-Heusler alloys CsXB
(X= Mg and Sr) are investigated by using First-principles study based on density functional …

The structural, elastic, electronic, magnetic, and optical properties of Ca1-xCrxTe (x= 0, 0.25,
0.50 and 0.75) compounds in the ferromagnetic Rock-Salt phase were investigated. The …

The interesting characteristics of spintronics exhibit lower energy consumption, higher
density, push up us to find new materials that can be functional for spintronics such as half …

A first-principles approach is used to study the structural, electronic and magnetic properties
of Sr 1− x (Mn, Cr) x O alloys. The investigation was done using the (FP-LAPW) scheme …

Using the full-potential linearized augmented plane-wave (FP-LAPW) calculations with
generalized gradient approximation functional (GGA), we investigated the structural …