This study focuses on the detailed investigation of full-Heusler AlXIr 2 (X= Co, Cr, Cu, Fe and
Zn) alloys. A first-principal plane-wave pseudopotential method based on density functional …

In this work, in order to provide theoretical data for further research on preparing AuAl 2 alloy
to screen suitable elements that can improve the ductility of AuAl 2, the first-principles …

In order to demonstrate the stability of newly proposed iridium-based Ir 2 Cr (In, Sn) and
IrRhCr (In, Sn) heusler alloys, we present ab-initio analysis of these alloys by examining …

Abstract Rh 2 XZn (X= Mn, Zn), full-Heusler compounds have been investigated with respect
to their transport and thermodynamic properties using the first-principles approach. The full …

Heusler alloys are a huge family of binary, ternary and quaternary compounds and contain a
wide range of unique properties, which made Heusler compounds to be the efficient …

The structural, mechanical, electronic, thermodynamic, and phonon characteristics of Sc 2
CdAl and Sc 2 ZnAl in L2 1 phase were the main focuses on this investigation. The density …

In this paper, the changes of lattice constant, stability and electronic structural properties of
Si 64− x M x (M= C, Ge, Sn, Pb; x= 0, 1, 2, 3, 4) doped system under various doping types …

In this paper, we investigated the magnetic stability, structural, electronic, and elastic
properties of Os2YAl,(Y= Cr, Mn, and Fe) using the linearly augmented plane wave method …

Half-metallicity and magnetism including exchange splitting are the most significant physical
parameters to predict and design a candidate material for spintronic applications. We report …

In this manuscript, the structural, electronic, magnetic, elastic and thermodynamic properties
of Mn2Cr1− x V x Si (x= 0, 0.25, 0.5, 0.75 and 1) alloys are studied by employing the …