Structural, electronic and thermodynamic investigation of Ag2GdSi, Ag2GdSn and Ag2Gd Pb Heusler alloys: First-principles calculations

Zoubir, Mahdjoub Kheireddine and Fadila, Belkharroubi and Keltoum, Boudia and Ibrahim, Ameri and Farah, Blaha Lamia and Al-Douri, Y. and Mohammed, Ameri (2021) Structural, electronic and thermodynamic investigation of Ag2GdSi, Ag2GdSn and Ag2Gd Pb Heusler alloys: First-principles calculations. Materials Testing, 63 (6). pp. 537-542. ISSN 0025-5300, DOI https://doi.org/10.1515/mt-2020-0088.

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Official URL: https://doi.org/10.1515/mt-2020-0088

Abstract

The strcutral, electronic and thermodynamic proerties of Ag2GdSi, Ag2GdSn and Ag2GdPb Heusler alloys are investigated using first-principles calculations of density functional theory (DFT) through linearized augmented plane waves (FP-LAPW) implemented within Wien2k software package. Structural, electronic and thermodynamic investigations of Ag2GdSi, Ag2GdSn and Ag2GdPb Heusler alloys are performed. Moreover, details regarding the lattice parameters, bulk modulus and its pressure derivative, band structure and density of states are elaborated upon.

Item Type: Article
Funders: UNSPECIFIED
Uncontrolled Keywords: Thermodynamic properties; Structural properties; Electronic properties; Heusler alloys
Subjects: T Technology > TA Engineering (General). Civil engineering (General)
T Technology > TP Chemical technology
Divisions: Nanotechnology & Catalysis Research Centre
Depositing User: Ms. Juhaida Abd Rahim
Date Deposited: 18 Feb 2022 04:15
Last Modified: 18 Feb 2022 04:15
URI: http://eprints.um.edu.my/id/eprint/26217

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