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

被引：95
作者：
Zoubir, Mandjoub Kheireddine [1 ,2 ,3 ]
Fadila, Belkharroubi [4 ,5 ]
Keltoum, Boudia [6 ]
Ibrahim, Ameri [7 ]
Farah, Blaha Lamia [8 ]
Al-Douri, Y. [2 ,3 ,9 ]
Mohammed, Ameri [10 ]
机构：
[1] Univ Djillali Liabes Sidi Bel Abbes, Phys Chem Adv Mat Lab, Sidi Bel Abbes, Algeria
[2] Univ Malaya, Kuala Lumpur, Malaysia
[3] Univ Djillali Liabes Sidi Bel Abbes, Sidi Bel Abbes, Algeria
[4] Sci & Technol Univ USTO MB, Oran, Algeria
[5] Univ Djillali Liabes Sidi Bel Abbes, Dept Phys, Adv Mat Phys & Chem Lab, Sidi Bel Abbes, Algeria
[6] Univ Algeria, Tissemsilt Ctr, Algiers, Algeria
[7] Univ Djillali Liabes Sidi Bel Abbes, Condensed Matter Phys, Adv Mat Phys & Chem Lab, Dept Phys, Sidi Bel Abbes, Algeria
[8] Univ Djillali Liabes Sidi Bel Abbes, Dept Mat & Sustainable Dev, Phys Mat, Sidi Bel Abbes, Algeria
[9] Bahcesehir Univ, Istanbul, Turkey
[10] Univ Djillali Liabes Sidi Bel Abbes, Sidi Bel Abbes, Algeria
来源：
MATERIALS TESTING | 2021年 / 63卷 / 06期
关键词：
Thermodynamic properties; structural properties; electronic properties; Heusler alloys; MAGNETIC INVESTIGATIONS; COMPOUND;
D O I：
10.1515/mt-2020-0088
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
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.
引用
收藏
页码：537 / 542
页数：6
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