As half-Heusler compounds are promising candidates for environmentally friendly and low-
cost thermoelectric materials, not only a high figure of merit and efficiency are necessary but …

Density functional theory was employed to investigate the structural, electronic, elastic,
thermodynamic, and thermoelectric characteristics of RhNbZ (Z= Si, Ge) half-Heusler …

In this paper, we study the structural, electronic, magnetic, mechanical and thermal
properties of Half-Heusler CoMnTe, using the Density Functional Theory (DFT) with the …

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 …

The present manuscript reports structural stability, half-metallic behavior, thermophysical
and thermoelectric properties of Co 2 MoAl and Co 2 TcAl full Heusler compounds using first …

The aim of this work was to study by means of the full potential linear muffin‐tin orbital
method within generalized gradient approximation (GGA) and GGA+ U approach the various …

This is to review the structural, elastic, optoelectronic, mechanical, thermodynamic, and
magnetic properties of different half-and full-Heusler compounds such as NiTiX and CoVX …

In the present paper, the electronic structure, magnetic, magnetocaloric, and thermoelectric
properties of the perovskite LaFeO 3 compound are investigated, by using first-principles …

We have explored the mechanical, electronic, optical and thermoelectric properties of p-type
half-Heusler compound BaAgP for the first time using density functional theory based …

The electronic, elastic, and thermoelectric behaviors of the half-Heusler LiCrX (X= S, Se, and
Te) compounds in the Type I phase are investigated. These three kinds of alloys have …