To study the structural properties of Co 2 FeZ (Z= Al, Si, Ga)(CFZ) alloys, we will use the
approximation method GGA-PBE based on the method of plane waves increased by linear …

Spinel ferrites have received extended discussions among different ceramic magnetic
nanoparticles due to dependence of its physiochemical properties on the fabrication …

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 …

We use first-principles method for a comprehensive investigation of structural, elastic,
electronic, Mulliken atomic population based bonding, phonon, thermodynamic and optical …

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 …

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 …

Since acetone gas sensors play a key role in air monitoring and non-invasive diagnosis of
diabetes, the realization of high-performance acetone gas sensors is highly important. In this …