First-principles calculations of structural, elastic, electronic, and optical properties of CaYP (Y = Cu, Ag) Heusler alloys

Drici, Lamia; Belkharroubi, Fadila; Boufadi, Fatima Zohra; Ameri, Ibrahim; Ameri, Mohammed; Belkilali, Walid; Azzi, Saleha; Khelfaoui, Friha; Al-Douri, Y.

doi:10.1007/s42247-021-00211-8

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First-principles calculations of structural, elastic, electronic, and optical properties of CaYP (Y = Cu, Ag) Heusler alloys

Author(s): Lamia Drici , Fadila Belkharroubi , Fatima Zohra Boufadi , Ibrahim Ameri , Mohammed Ameri , Walid Belkilali , Saleha Azzi , Friha Khelfaoui , Y. Al-Douri

Publication date (Electronic): March 25 2021

Journal: Emergent Materials

Publisher: Springer Science and Business Media LLC

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Most cited references 76

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Generalized Gradient Approximation Made Simple

John P Perdew, Kieron Burke, Matthias Ernzerhof (1997)

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Special points for Brillouin-zone integrations

Hendrik Monkhorst, James Pack (1976)

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Inhomogeneous Electron Gas

P Hohenberg, Kurt W. Kohn (1964)

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Title: Emergent Materials

Abbreviated Title: emergent mater.

Publisher: Springer Science and Business Media LLC

ISSN (Print): 2522-5731

ISSN (Electronic): 2522-574X

Publication date Created: August 2022

Publication date (Electronic): March 25 2021

Publication date (Print): August 2022

Volume: 5

Issue: 4

Pages: 1039-1054

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DOI: 10.1007/s42247-021-00211-8

SO-VID: c92a0052-b0e9-4361-95ac-afc997d162b6

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First-principles calculations of structural, elastic, electronic, and optical properties of CaYP (Y = Cu, Ag) Heusler alloys

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High Entropy Alloys and Complex Concentrated Alloys

Most cited references 76

Generalized Gradient Approximation Made Simple

Special points for Brillouin-zone integrations

Inhomogeneous Electron Gas

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