Heusler alloys have been a significant topic of research due to their unique electronic
structure, which exhibits half-metallicity, and a wide variety of properties such as magneto …

In this study, we used the first-principles calculation method based on density functional
theory to study systematically the structural, mechanical, electronic, magnetic and …

Heusler alloys are predicted from a theoretical point of view to evolve into half-metals at
room temperature (RT). Their three main assets are their suitable lattice matching …

Ab initio calculation of the structural, mechanical, dynamic, thermodynamic, electronic, and
optical properties of cubic half-Heusler compound NaScSi have been reported using density …

Some theoretical calculations of CoTiX (X: P, As, Sb) Half-Heusler (HH) compounds in
MgAgAs-type structure have been analyzed using density functional theory (DFT). These …

The structural, electronic, magnetic and elastic properties of Co 2 MnGe 1-x Si x (x= 0, 0.25,
0.50, 0.75, and 1) compounds are investigated by first-principles calculations within the …

Abstract Ternary half-Heusler VXSb (X= Co, Rh, and Ir) antimonides having C1 b cubic
crystal structure and conforming to F 4‾ 3 m space group with 216 space number, have been …

The structural, electronic, optical, and vibrational properties of half-Heusler compound TiIrBi
have been investigated by using the Generalized Gradient Approximation (GGA) and GGA …

The magnetic, electronic, elastic and vibrational properties of Ir 2 MnAl Heusler alloy are
investigated with generalised gradient approximation (GGA) within the frame of Density …

Electronic, magnetic and elastic calculations of a new Ti2RuTl full Heusler compound have
been made using the Vienna Ab-initio Simulation Package (VASP). The computations were …