First-principles investigation of structural, mechanical, electronic, and thermoelectric properties of Half-Heusler compounds RuVX (X= As, P, and Sb)
The structural, mechanical, electronic, and transport properties of RuVX (As, P, and Sb) Half-
Heusler compounds are studied. The density functional theory (DFT) based on full-potential …
Heusler compounds are studied. The density functional theory (DFT) based on full-potential …
Structural, electronic, magnetic and thermoelectric properties of full Heusler alloys Co2YZ (Z= S, Ge, Se): A first principles calculation
Density functional theory (DFT) calculations are used to find physical characteristics of full
Heusler (FH) alloys Co 2 YZ (Z= S, Ge, Se). Full potential-linearized augmented plane wave …
Heusler (FH) alloys Co 2 YZ (Z= S, Ge, Se). Full potential-linearized augmented plane wave …
Electronic, elastic, vibrational and thermodynamic properties of HfIrX (X= As, Sb and Bi) compounds: insights from DFT-based computer simulation
Ab-initio calculations were performed to reveal and thoroughly understand the structural,
electronic, elastic, thermodynamic and vibrational properties of HfIrX (X= As, Sb and Bi) …
electronic, elastic, thermodynamic and vibrational properties of HfIrX (X= As, Sb and Bi) …
Electronic, magnetic, half-metallic, and mechanical properties of a new equiatomic quaternary Heusler compound YRhTiGe: A first-principles study
We apply First-principles theory to study the electronic structure as well as the magnetic and
mechanical characteristics of YRhTiGe, a newly-designed Y-based quaternary equiatomic …
mechanical characteristics of YRhTiGe, a newly-designed Y-based quaternary equiatomic …
Structural, electronic, magnetic, elastic, thermodynamic, and thermoelectric properties of the half-Heusler RhFeX (with X= Ge, Sn) compounds
MA Bennani, Z Aziz, S Terkhi, EH Elandaloussi… - … of Superconductivity and …, 2021 - Springer
In the present work, the structural, electronic, magnetic, elastic, thermodynamic, and
thermoelectric properties of half-Heusler alloys RhFeX (with X= Ge, Sn) have been …
thermoelectric properties of half-Heusler alloys RhFeX (with X= Ge, Sn) have been …
First-principles investigation on the electronic, mechanical and lattice dynamical properties of novel AlNiX (X= As and Sb) half-Heusler alloys
First-principles calculation is performed to study the structural stabilities, elastic, mechanical,
and lattice dynamical properties for AlNiAs and AlNiSb novel half Heusler alloys. The LiAlSi …
and lattice dynamical properties for AlNiAs and AlNiSb novel half Heusler alloys. The LiAlSi …
A new candidate for optoelectronic device applications: CoTiX (X: P, As, Sb) half-heusler compounds
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 …
MgAgAs-type structure have been analyzed using density functional theory (DFT). These …
Thermoelectric and piezoelectric properties in half-Heusler compounds TaXSn (X= Co, Rh and Ir) based on ab initio calculations
In this paper, we report a theoretical study of the structural, electronic, thermoelectric and
piezoelectric properties of TaXSn (X= Co, Rh and Ir) half-Heusler compounds crystallizing …
piezoelectric properties of TaXSn (X= Co, Rh and Ir) half-Heusler compounds crystallizing …
A promising thermoelectric response of fully compensated ferrimagnetic spin gapless semiconducting Heusler alloy Zr2MnAl at high temperature: DFT study
In recent times, Heusler compounds have emerged as potential candidates for spintronics
and thermoelectric materials owing to their interesting properties such as gapless …
and thermoelectric materials owing to their interesting properties such as gapless …
Thermoelectric properties of M2AgAlBr6 (M= K, Rb, Cs) double perovskites: A first principles study
GBG de Souza, VB Nascimento, R de Paiva… - Solid State …, 2024 - Elsevier
Structural, electronic, and transport properties of aluminum-based double halide perovskite
M 2 AgAlBr 6 (M= K, Rb, Cs) are here subject of investigation, using first-principles …
M 2 AgAlBr 6 (M= K, Rb, Cs) are here subject of investigation, using first-principles …