First-principle calculations are performed to predict the electronic structure and elastic and
magnetic properties of CoRhMnZ (Z= Al, Ga, Ge and Si) Heusler alloys. The calculations …

Within density functional theory (DFT), we have investigated the structural, elastic, electronic,
magnetic, and thermoelectric properties of XCrSb (X= Fe and Ni) half-Heusler (HH) alloys …

Herein, an ab initio study was conducted to investigate the properties of CoZrSb1− x Bi x half-
Heusler alloys and their (CoZrSb) n/(CoZrBi) n superlattices. The structural stability revealed …

The structural, elastic, electronic properties, thermal properties and magnetic hyperfine field
and thermoelectric response of Laves phase PrFe 2 and PrRu 2 compounds are researched …

Herein, we have investigated by means of the DFT calculations the magneto-electronic
properties and thermoelectric responses of the novel half-Heusler NbFe (Mn) Sn …

In this paper, the elastic properties, Debye temperatures, thermal conductivities, and sound
velocities of MBN nitrides are explained systematically by considering the first-principles …

The structural, mechanical, electronic and magnetic properties of the series of Heusler alloys
CoFeMnZ (Z= Si, As, and Sb) have been investigated theoretically. The objective is to seek …

In this paper, the research focuses on the systematic discussion of the structural, electronic,
phononic, and optical properties of Zr-Al-N ternary nitrides using first-principles calculations …

The energy conversion efficiency is one of the attributes that make Heusler alloys an
extraordinary candidate for thermoelectric applications. In this paper, we have examined the …

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 …