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

被引：14

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.

引用

页数：10