Insights on structural, elastic, electronic, optical and thermodynamic properties and population analysis of double perovskite oxide Ba2MgXO6 (X = Se, Te)

Dai, Qi; Liang, Qi-Qi; Tang, Tian-Yu; Gao, Hua-Xu; Wu, Shi-Quan; Tang, Yan-Lin

doi:10.1016/j.mssp.2023.108003

Materials Science in Semiconductor Processing

2024

DOI: 10.1016/j.mssp.2023.108003

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Insights on structural, elastic, electronic, optical and thermodynamic properties and population analysis of double perovskite oxide Ba2MgXO6 (X = Se, Te)

Qi Dai,

Qi-Qi Liang,

Tian-Yu Tang

et al.

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Cited by 6 publications

References 42 publications

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Computational insights into the structural, electronic, and optoelectronic properties of Sr2MgXO6 (X = S, Se) double perovskites: promising candidates for photovoltaic and optoelectronic applications

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Prediction of comprehensive properties and their hydrogen performance of Mg2XH6(X=Mn, Fe, Co, Ni) perovskite hydrides based on first principles

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2024

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Insights on structural, elastic, electronic, optical and thermodynamic properties and population analysis of double perovskite oxide Ba2MgXO6 (X = Se, Te)

Cited by 6 publications

References 42 publications

New eco-friendly lead-free double perovskites Rb2FeCdO6 driven semiconducting material for radiation shielding and energy applications: DFT + U based nanoarchitectonics

New eco-friendly lead-free double perovskites Rb2FeCdO6 driven semiconducting material for radiation shielding and energy applications: DFT + U based nanoarchitectonics

Computational insights into the structural, electronic, and optoelectronic properties of Sr2MgXO6 (X = S, Se) double perovskites: promising candidates for photovoltaic and optoelectronic applications

Prediction of comprehensive properties and their hydrogen performance of Mg2XH6(X=Mn, Fe, Co, Ni) perovskite hydrides based on first principles

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