Thermoelectric MgAgSb alloys for sustainable energy application
Solid‐state thermoelectric (TE) devices are known for converting solar energy and waste
heat into electricity, which provides a substitute path for energy production and utilization to …
heat into electricity, which provides a substitute path for energy production and utilization to …
I–II–V and I–III–IV half-Heusler compounds for optoelectronic applications: Comparative ab initio study
We have investigated structural, electronic and optical properties of 96 half-Heusler
materials, including compounds of I–II–V and I–III–IV types using first-principles calculations …
materials, including compounds of I–II–V and I–III–IV types using first-principles calculations …
Thermoelectric performance of cadmium-based LiCdX (X= N, P, As, Sb and Bi)-filled tetrahedral semiconductors: applications in green energy resources
Half-Heusler materials have been studied on a large scale due to their high stability and
wide range of band gaps. Here, we have studied the fundamental physical and …
wide range of band gaps. Here, we have studied the fundamental physical and …
First-principles study of optoelectronic and thermoelectric properties of LiCaX (X= N, P and As) half-Heusler semiconductors
A Azouaoui, A Hourmatallah, N Benzakour… - Journal of Solid State …, 2022 - Elsevier
In this paper, we have investigated the LiCaX (X= N, P and As) half-Heusler
semiconductor by using density functional theory (DFT) implemented in QUANTUM …
semiconductor by using density functional theory (DFT) implemented in QUANTUM …
Investigation of the half-metallicity, magnetism and spin transport properties of double half-Heusler alloys Mn 2 CoCrZ 2 (Z= P, As)
Z Cui, H Ding, Y Feng - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
A new subfamily of Heusler alloys, ie double half-Heusler alloys Mn2CoCrZ2 (Z= P, As), are
investigated by employing density functional theory combined with the nonequilibrium …
investigated by employing density functional theory combined with the nonequilibrium …
Structural and optoelectronic properties of LiYP (Y= Ca, Mg, and Zn) half-Heusler alloy under pressure: A DFT study
M Miri, Y Ziat, H Belkhanchi, Z Zarhri… - Physica B: Condensed …, 2023 - Elsevier
By adjusting the lattice geometry through pressure engineering, it is possible to further
enhance and customize various properties of materials even at zero pressure. The utilization …
enhance and customize various properties of materials even at zero pressure. The utilization …
Study of structural, optoelectronic and magnetic properties of Half-Heusler compounds QEuPa (Q= Ba, be, Mg, Sr) using first-principles method
The structural, optoelectronic and magnetic properties of the Half-Heusler (HH) compounds
QEuPa (Q= Ba, Be, Mg, Sr) in the ground state are investigated from the first principles …
QEuPa (Q= Ba, Be, Mg, Sr) in the ground state are investigated from the first principles …
Accelerated discovery of new 8-electron half-Heusler compounds as promising energy and topological quantum materials
Rapid discovery of potential functional materials remains an open challenge. We often focus
on exploring the properties of previously reported compounds, but avoid various unreported …
on exploring the properties of previously reported compounds, but avoid various unreported …
First principle study of structural, electronic, mechanical, dynamic and optical properties of half-Heusler compound LiScSi under pressure
In this study, several physical properties of LiScSi compound with MgAgAs phase were
investigated via the plane-wave pseudo-potential technique in density functional theory …
investigated via the plane-wave pseudo-potential technique in density functional theory …
Influence of pressure on structural stability and physical properties of NaCaZ (ZN, P and As) half-Heusler semiconductor materials
A Azouaoui, A Harbi, M Moutaabbid… - … Journal of Modern …, 2024 - World Scientific
Based on density functional theory (DFT), the structural and physical properties of NaCaZ
(Z= N, P, As) half-Heusler (HH) semiconductor materials have been studied under pressure …
(Z= N, P, As) half-Heusler (HH) semiconductor materials have been studied under pressure …