First-principles study of half-metallic properties in X2VSi (X = Ti, Co) and their quaternary TiCoVSi and CoTiVSi compounds

被引：10
|
作者：
Cheref, O. [1 ]
Dahmane, F. [2 ]
Benalia, S. [1 ,2 ]
Rached, D. [1 ]
Mokhtari, M. [1 ,3 ]
Djoudi, L. [1 ,2 ]
Merabet, M. [1 ,2 ]
Bettahar, N. [1 ]
机构：
[1] Univ DjillaliLiabes Sidi Bel Abbes, Fac Sci, Lab Mat Magnet, Sidi Bel Abbes 22000, Algeria
[2] Ctr Univ Tissemsilt, Inst Sci & Technol, Dept Sci Mat SM, Tissemsilt 38000, Algeria
[3] USTO, LEPM, Dept Phys Energet, BP 1505, El Mnaouar, Oran, Algeria
来源：
COMPUTATIONAL CONDENSED MATTER | 2019年 / 19卷
关键词：
Full-Heusler; Half-metallic; Magnetic properties; Spintronics; ELECTRONIC-STRUCTURE; HEUSLER; FERROMAGNETISM; CR;
D O I：
10.1016/j.cocom.2019.e00369
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The structural, electronic and magnetic properties of full-Heusler alloys X2VSi (X = Ti, Co), and their quaternary compounds TiCoVSi and CoTiVSi, are determined using the full potential linearized augmented plane waves (FP-LAPW) method. Based on GGA, GGA thorn U and mBJ-GGA exchange-correlation potentials, the Co2VSi, TiCoVSi and CoTiVSi's density of states (DOS) and bands structure, show the existence of energies band gaps in their minority-spin channels with half-metallic behavior. The total magnetic moments for all full-Heusler materials are in line with the Slater-Pauling rule, consequently, these alloys can be a promising candidates for future spintronic applications. (C) 2019 Elsevier B.V. All rights reserved.
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页数：10
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