First-principles calculations to investigate band gap of cubic BaThO3 with systematic isotropic external static pressure and its impact on structural, elastic, mechanical …
The motive of this study is to offer a comprehensive evaluation of the structural, elastic,
mechanical, anisotropic, electrical and optical characteristics of BaThO 3 under the pressure …
mechanical, anisotropic, electrical and optical characteristics of BaThO 3 under the pressure …
Static isotropic pressure induced semiconductor–metal transition and its impact on structural, electronic, elastic, mechanical and optical properties of SrCeO3
The main motive of this study is to investigate the structural, mechanical, and optoelectronic
changes upon applied pressure from 0–174 GPa on SrCeO3. We are keen to observe …
changes upon applied pressure from 0–174 GPa on SrCeO3. We are keen to observe …
Materials genome project: The application of principal component analysis to the formability of perovskites and inverse perovskites
M Boubchir, H Aourag - Computational Condensed Matter, 2020 - Elsevier
We present a throughout multivariate technique in order to predict the formability of
perovskites and inverse perovskites compounds, on the basis of the unified atomic-ionic …
perovskites and inverse perovskites compounds, on the basis of the unified atomic-ionic …
Materials genome project: Mining the ionic conductivity in oxide perovskites
M Boubchir, H Aourag - Materials Science and Engineering: B, 2021 - Elsevier
We present in this work a strategy for predicting new oxide perovskites with the potential for
achieving high ionic conductivity for applications as a solid oxide fuel cell (SOFC). We …
achieving high ionic conductivity for applications as a solid oxide fuel cell (SOFC). We …
Computational investigation on structural, elastic, and optoelectronic properties of low-cost perovskites CaSiX3 (X= S, Se, and Te): photovoltaic application
Z Bouguerra, H Bennacer, A Boukortt… - Computational …, 2024 - Elsevier
This paper employs the density functional theory to investigate the structural, elastic, and
optoelectronic properties of chalcogenide-based perovskite CaSiX 3 (X= S, Se, and Te) for …
optoelectronic properties of chalcogenide-based perovskite CaSiX 3 (X= S, Se, and Te) for …
A comparative hybrid-DFT study of energy-efficient halide perovskite under hydrostatic pressure
SS Hassan, SSA Gillani - Physica Scripta, 2024 - iopscience.iop.org
To achieve the main goal of this research, follow these steps to perform a detailed
computational analysis using the Heyd–Scuseria–Ernzerhof (HSE-03) hybrid functional …
computational analysis using the Heyd–Scuseria–Ernzerhof (HSE-03) hybrid functional …
Développement massive de nouveaux matériaux par l'approche ab-initio couplé au datamining.
BM Abdeldjallil - 2022 - dspace.univ-sba.dz
Résumé (en Français): Nous présentons dans ce travail une stratégie pour prédire de
nouvelles pérovskites d'oxyde ayant le potentiel d'atteindre une conductivité ionique élevée …
nouvelles pérovskites d'oxyde ayant le potentiel d'atteindre une conductivité ionique élevée …
[PDF][PDF] The effect of uniaxial stress on structural and electronic properties in half-heusler FeVSb: ab-initio study
B Benchehida, H Abbassa… - Journal of New …, 2022 - review.univ-oeb.dz
The effect of uniaxial stress on structural and electronic properties in half-heusler FeVSb: ab-initio
study Page 1 The effect of uniaxial stress on structural and electronic properties in half-heusler …
study Page 1 The effect of uniaxial stress on structural and electronic properties in half-heusler …
[引用][C] Développement massive de nouveaux matériaux par l'approche ab-initio couplé au datamining.
MA BOUBCHIR - 2022