First-principles investigation of inorganic antiperovskite A<sub>3</sub>SbAs (A = Ba, Sr, and Ca): insights into thermoelectric and optoelectronic potential

This study investigates the physical, mechanical, and thermal properties of A₃SbAs (A = Ba, Sr, Ca) antiperovskites using DFT, revealing stable cubic structures, direct band gaps, and strong potential for sustainable energy technologies.

Authors

Besbes Anissa (ORCID: https://orcid.org/0000-0002-2853-1909)
Djelti Radouan (ORCID: https://orcid.org/0000-0002-0762-5818)
Aissani Ali (ORCID: https://orcid.org/0009-0007-5734-2174)
Lakhdar Benahmedi (ORCID: https://orcid.org/0009-0008-0895-6820)
Sidahmed Bendehiba

Institutions

Université de Mostaganem (DZ)

Publication Details

Journal: New Journal of Chemistry
Published: 2025-01-01
DOI: https://doi.org/10.1039/d5nj00017c
Citations: 9
Primary Topic: Thermal Expansion and Ionic Conductivity
Type: article
Field-Weighted Citation Impact: 4.66

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article

First-principles investigation of inorganic antiperovskite A₃SbAs (A = Ba, Sr, and Ca): insights into thermoelectric and optoelectronic potential

Besbes Anissa, Djelti Radouan, Aissani Ali, Lakhdar Benahmedi et al.

Jan 1, 2025

9 citations

New Journal of Chemistry

Thermal Expansion and Ionic Conductivity

4.66

article

First-principles investigation of inorganic antiperovskite A₃SbAs (A = Ba, Sr, and Ca): insights into thermoelectric and optoelectronic potential

Besbes Anissa, Djelti Radouan, Aissani Ali, Lakhdar Benahmedi, Sidahmed Bendehiba

January 1, 2025article en

9 citations

Abstract

This study investigates the physical, mechanical, and thermal properties of A₃SbAs (A = Ba, Sr, Ca) antiperovskites using DFT, revealing stable cubic structures, direct band gaps, and strong potential for sustainable energy technologies.

New Journal of ChemistryVol. 49(16)

Université de Mostaganem (DZ)

Openalex Percentile: Top 5%

Thermal Expansion and Ionic Conductivity

4.66

DOI Source OpenAlex

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