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

• Main Authors: Zoubir, Mahdjoub Kheireddine, Fadila, Belkharroubi, Keltoum, Boudia, Ibrahim, Ameri, Farah, Blaha Lamia, Al-Douri, Y., Mohammed, Ameri
• Format: Article
• Published: 2021
• Subjects: TA Engineering (General). Civil engineering (General); TP Chemical technology
• Online Access: http://eprints.um.edu.my/26217/; https://doi.org/10.1515/mt-2020-0088

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, elec...