The half‐metallic character of new quaternary Heusler alloys CoXMnAs (X= Ru, Rh) is
established along with their thermoelectric, mechanical, and thermodynamic properties. The …

Systematic investigation of impact of electronic structure and magnetism, on the
thermoelectric properties of new Zr 2 NiZ (Z= Al, Ga) Heusler alloys are determined using …

New quaternary Heusler materials, CoMnTiAl and FeMnTiAl, have been investigated. These
alloys are found to be stable in a ferromagnetic phase in Y1 type structure; the stability is …

First-principles calculations were used to calculate the structural, electronic and half-metallic
ferromagnetism of Mn 2 RuGe 1-x Sn x (x= 0, 0.25, 0.50, 0.75, 1) Heusler alloys. The Hg 2 …

Computational methods are infallible in predicting the ground state and numerous other
properties of materials. There have been copious efforts to design high spin-polarized …

Systematic investigation of the ground state structure, which includes elastic and transport
properties, of perovskite oxides REMnO3 (RE= Ce and Pr) has been carried out by first …

Full-Heusler compounds exhibit a variety of magnetic properties such as non-magnetism,
ferromagnetism, ferrimagnetism and anti-ferromagnetism. In recent years, they have …

In this study, physical properties of half Heusler (HH) alloys LiCrZ (Z= P, As, Bi, Sb) are
explored using Wien2k package. All these alloys are found to be the most stable with Type-1 …

In this study, quaternary Heusler alloys CoFeCrZ (Z= Si, As, Sb) were investigated based on
the modified Becke–Johnson exchange potential. The electronic structures demonstrated …

The electronic, structural, magnetic and transport properties of FeVTiAl quaternary alloy
have been investigated within the framework of density functional theory. The material is a …