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Akademický článek

Tuning the bandgap of cubic and orthorhombic BaZrS3 by substituting sulfur with selenium

Autor: Yousef M. Odeh, Said M. Azar, Anas Y. Al-Reyahi, Ahmad A. Mousa, Emad K. Jaradat, Nabil Al Aqtash

Publikováno v: AIP Advances, Vol 13, Iss 7, Pp 075118-075118-11 (2023)

In this paper, by using density functional theory (DFT), the structural, electronic, and optical properties of cubic and orthorhombic perovskites BaZrS3−xSex are explored. The lattice parameters increase when the substitution of S/Se atoms is appli

Externí odkaz: https://doaj.org/article/8fb934508036428daf139d9dd88e5407

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Akademický článek

Structural, electronic, magnetic, and optical investigations of sodium chalcogenides: First-principles calculations

Autor: Raed T. Jaradat, Mohammed S. Abu-Jafar, Mahmoud Farout, Said M. Azar, Rabah Khenata, Ahmad A. Mousa

Publikováno v: AIP Advances, Vol 13, Iss 1, Pp 015110-015110-17 (2023)

The electronic, magnetic, and optical properties of NaS and NaSe compounds have been studied by using first-principles calculations based on density-functional theory and full-potential linearized augmented plane-wave method. The Perdew–Burke–Ern

Externí odkaz: https://doaj.org/article/2e5b710bb50a4aacb8e89ec6152c5ba1

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Akademický článek

Structural, Elastic, Electronic, and Magnetic Properties of Full-Heusler Alloys Sc2TiAl and Sc2TiSi Using the FP-LAPW Method

Autor: Khadejah M. Al-Masri, Mohammed S. Abu-Jafar, Mahmoud Farout, Diana Dahliah, Ahmad A. Mousa, Said M. Azar, Rabah Khenata

Publikováno v: Magnetochemistry, Vol 9, Iss 4, p 108 (2023)

In this article, the structural, elastic, electronic, and magnetic characteristics of both regular and inverse Heusler alloys, Sc2TiAl and Sc2TiSi, were investigated using a full-potential, linearized augmented plane-wave (FP-LAPW) method, within the

Externí odkaz: https://doaj.org/article/eed555086d064879bd8d1c394d4c092a

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