Theoretical investigation of structural, mechanical, electronic, optical, and thermal properties of ternary compounds of heusler alloy ANiSn (A= TI, TH, U) using first …
MS Parves, MM Alam, MA Rayhan… - Physica B: Condensed …, 2024 - Elsevier
In this study, we investigated the ANiSn (A= Ti, Th, U) half-Heusler materials for various
properties, including structural, electronic, mechanical, elastic anisotropic, optical, and …
properties, including structural, electronic, mechanical, elastic anisotropic, optical, 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 …
predict the thermoelectric performances of half-Heusler NaCuTe alloy and Li 0.5 Na 0.5 …
First principles study of structural and optoelectronic properties of semiconductor NaBePxN1− x alloys for photovoltaic applications
Y Toual, S Mouchou, A Azouaoui, A Harbi… - Computational and …, 2024 - Elsevier
In this paper, the structural and optoelectronic properties of semiconductor NaBeP x N 1− x
(x= 0, 0. 25, 0. 50, 0. 75 and 1) alloys in the half-Heusler structure were investigated using …
(x= 0, 0. 25, 0. 50, 0. 75 and 1) alloys in the half-Heusler structure were investigated using …
Dispersive drumhead states in nodal-line semimetal junctions
We consider a smooth interface between a topological nodal-line semimetal and a
topologically trivial insulator (eg, the vacuum) or another semimetal with a nodal ring of …
topologically trivial insulator (eg, the vacuum) or another semimetal with a nodal ring of …
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) …
conductivity, anisotropy, electronic, and phonon properties of the RhTiZ (Z: As, Sb) …
Stability and Thermoelectric Properties of FeZrTe Alloy
F Djali, T Ouahrani, S Hiadsi, MR Boufatah - Journal of Electronic Materials, 2023 - Springer
We present a first attempt to untangle the capacity of FeZrTe half-Heusler as a thermoelectric
material. The study is conducted by means of theoretical calculations based on the density …
material. The study is conducted by means of theoretical calculations based on the density …
Highly efficient XCoSi (X= V, Nb, Ta) compounds for thermoelectricity: a density functional theory approach
OR Jolayemi, GM Mule, OT Uto, OC Olawole - Journal of Computational …, 2025 - Springer
Half-Heusler compounds hold great promise for thermoelectricity due to their excellent
thermal stability and electronic transport properties. This study unveils the physical …
thermal stability and electronic transport properties. This study unveils the physical …
The mechanical, thermodynamical and electronic properties of NaCdP half-Heusler
A Azouaoui - Indian Journal of Physics, 2024 - Springer
The present work aims to investigate the stability structural, mechanical and dynamical of
NaCdP half-Heusler using density functional theory (DFT). The ground state properties …
NaCdP half-Heusler using density functional theory (DFT). The ground state properties …