Exploring the multifaceted properties: structural, electronic, magnetic, mechanical, thermodynamic, transport, and optical characteristics of rhodium-based half-Heusler …

B Gurunani, DC Gupta - Journal of Materials Science, 2024 - Springer
Density functional theory was employed to investigate the structural, electronic, elastic,
thermodynamic, and thermoelectric characteristics of RhNbZ (Z= Si, Ge) half-Heusler …

Optimizing thermoelectric properties of CoTiP half-Heusler via doping with Br-, Se-and Ge atoms using first principle study

A Bouchrit, K Assiouan, H Ziani, A Achahbar - Journal of Physics and …, 2025 - Elsevier
The optimization of thermoelectric materials is crucial for advancing energy conversion
technologies. This study explores the electrical and thermoelectric properties of Br-, Ge-, and …

[HTML][HTML] First-principles assisted design of high-entropy thermoelectric materials based on half-Heusler alloys

C Zhang, N Yan, C Zhao, B Wei - Journal of Applied Physics, 2025 - pubs.aip.org
The deformation potential theory and semi-classical Boltzmann theory were combined to
predict the thermoelectric performances of half-Heusler NaCuTe alloy and Li 0.5 Na 0.5 …

First-principles calculations to investigate structural, elastic, electronic and thermoelectric properties of narrow-band gap half-Heusler RhVX (X = Si, Ge) compounds

AM Mebed, MA Ali - International Journal of Modern Physics B, 2023 - World Scientific
This research work aims to understand the structural, electronic, elastic and thermoelectric
properties of half-Heusler RhV X (X= Si, Ge) compounds. The included properties are …

Investigation of the structural, mechanical, anisotropic, thermal conductivity, electronic, and phonon properties of RhTiZ (Z: As, sb) half heusler compounds under high …

İK Durukan, YO Ciftci - Physica B: Condensed Matter, 2024 - Elsevier
This investigation delves into the effects of pressure on the structural, elastic, thermal
conductivity, anisotropy, electronic, and phonon properties of the RhTiZ (Z: As, Sb) …

First principle investigation on electronic and thermoelectric properties of CoTiP half-Heusler with Co, Ti, and P vacancies

A Bouchrit, H Ahmoum, JEL Khamkhami… - Physica B: Condensed …, 2024 - Elsevier
This study focused on investigating the effect of vacancy-site defects on the thermoelectric
properties of the CoTiP half-Heusler (HH) compound. While analyzing the electronic …

Shifting the plasmonic resonance to infrared region for AlP by inducing high S concentration: Indirect to direct band gap

H Ahmoum, G Li, M Boughrara, M Kerouad… - Physica B: condensed …, 2023 - Elsevier
In this work, structural, electronic, dielectric and thermoelectric properties of AlP with the
presence of sulfur (S) impurities with various concentrations to form A l 1 P 1− x S x with x …