LiNbCoX (X= Al, Ga) quaternary Heusler compounds for high-temperature thermoelectric properties: a computational approach

J Singh, T Kaur, AP Singh, M Goyal, K Kaur… - Bulletin of Materials …, 2023 - Springer
Researchers have looked into quaternary Heusler (QH) compounds for their potential use in
futuristic gadgets like photovoltaic cells, optical fibres, thermoelectric modules and spintronic …

Thermodynamic and thermoelectric properties of FeCrTiZ (Z= Si, Ge) quaternary Heusler compounds

N Kaur, R Sharma, V Srivastava… - The Journal of Chemical …, 2023 - Elsevier
The objective of this work is to find the possible applications of the compounds as
thermoelectric materials or alternate energy materials. In this regard, FeCrTiZ (Z= Si, Ge) …

Thermoelectric performance of newly discovered LiHfPdZ (Z= Al, Ga, and In) quaternary Heusler compounds: A DFT study

L Suktel, SM Saini - Physica B: Condensed Matter, 2024 - Elsevier
Abstract Li-based quaternary Heusler LiHfPdZ (Z= Al, Ga, and In) compounds have been
investigated for their electronic properties, structural stability, phonon spectra, and …

Structural Stability and High-Temperature Thermoelectric Performance of LiYPdSn Quaternary Heusler Compound

J Singh, K Kaur, M Goyal, Y Gupta, AF Wani… - Solid State …, 2024 - Elsevier
In this research work, the electronic, mechanical, and thermoelectric properties of the
recently discovered Li-based quaternary Heusler compound ie LiYPdSn are explored with …

Phase stability and thermoelectricity in topological Dirac semimetal Na3Bi

M Goyal, MM Sinha - Materials Science in Semiconductor Processing, 2023 - Elsevier
A vibrant research field in condensed matter is the study of topological materials, which
range from topological insulators to Dirac semimetals and Weyl semimetals. Na 3 Bi is …

Exploring the structural, electronic, optical properties and stability of Na2SrX (Si and Ge) full-Heusler alloys: A first principle investigation

C Abbes, S Belbachir, H Abbassa, S Meskine… - Emergent …, 2023 - Springer
The full-potential linearized augmented plane wave (FP-LAPW) method, based on the
density functional theory (DFT) with the generalized gradient approximation (GGA) plus …

Structural, Electronic, Half-Metallic and Thermoelectric Properties of Quaternary Heusler Alloys AgCoFeZ (Z= Al, Ga, Si, Ge, and Sn), NiFeCrZ (Z= Al, Si, Ge, In) and …

M Ketfi, S Berri, D Maouche, N Bouarissa - Journal of Superconductivity …, 2024 - Springer
The full-potential linearized augmented plane wave (FP-LAPW) approach of density
functional theory has been utilized to systematically analyze the AgCoFeZ (Z= Al, Ga, Si, Ge …

Comparative analysis of electronic, mechanical, vibrational, thermodynamical and thermoelectric properties of Li based quaternary Heusler's LiNbRhAl, LiNbRhGa …

L Suktel, SM Saini - Computational Condensed Matter, 2024 - Elsevier
We have performed a comprehensive demonstration of electrical, structural, dynamical,
mechanical, thermodynamical and transport properties of Li based LiNbRhZ (Z= Al, Ga, and …

Comprehensive investigation of Li-based novel quaternary Heusler LiTiPdZ (Z= Al, Ga, In) compounds for thermoelectric performance

L Suktel, SM Saini - Physica Scripta, 2024 - iopscience.iop.org
In the present article, we used Density Functional Theory and the Boltzmann transport
equation to study the structural, electronic, and thermoelectric (TE) properties along with …

First-principles investigation of the structural, mechanical, electronic and thermoelectric properties of ZnFeNbAl Heusler compound

T Lin, Q Gao, G Liu - Materials Today Communications, 2023 - Elsevier
In this paper, we theoretically studied the physical properties of ZnFeNbAl compound in the
Heusler structure. The results of formation energy, phonon dispersion and elastic constants …