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DFT Studies on Electronic, Elastic, Thermoelectric and Optical Properties of New Half-Heusler XRhZ (X = V, Nb and Z = Si, Ge) Semiconductors

Density functional theory is used to explore the physical properties of the new half-Heusler alloys XRhZ (X =V, Nb and Z = Si, Ge). The exchange-correlation effects were treated by the TB-mBJ potential. The four studied compounds are nonmagnetic semiconductor with an indirect band gap. The formation...

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Principais autores: Bendehiba Sid Ahmed, Besbes Anissa, Djelti Radouan, Najwa Al Bouzieh, I. Kars Durukan, Noureddine Amrane
Formato: Artigo
Idioma:Inglês
Publicado: V.N. Karazin Kharkiv National University Publishing 2024-03-01
Series:East European Journal of Physics
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Acceso en liña:https://periodicals.karazin.ua/eejp/article/view/22616
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