First-principle investigation of magnetic and electronic properties of vanadium- and chromium-doped cubic aluminum phosphide

被引：37

作者：

Doumi, Bendouma ^{[1
]}

Mokaddem, Allel ^{[2
]}

Ishak-Boushaki, Mustapha ^{[3
]}

Bensaid, Djillali ^{[4
]}

机构：

[1] Dr Tahar Moulay Univ Saida, Dept Phys, Fac Sci, Saida 20000, Algeria

[2] USTHB, Dept Mat & Components, Fac Phys, Algiers, Algeria

[3] USTHB, Fac Phys, Algiers, Algeria

[4] Djillali Liabes Univ Sidi Bel Abbes, Lab Phys Chem Adv Mat, Sidi Bel Abbes 22000, Algeria

来源：

MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING | 2015年 / 32卷

关键词：

First-principle calculations; Spintronics; Half-metallic ferromagnetism; V- and Cr-doped AlP; HALF-METALLIC FERROMAGNETISM; 1ST PRINCIPLES; ROOM-TEMPERATURE; CR; SEMICONDUCTORS; MN; ALP; SPINTRONICS; SPIN; GAP;

D O I：

10.1016/j.mssp.2015.01.014

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

We have investigated the half-metallic ferromagnetic and electronic properties of vanadium- and chromium-doped cubic aluminum phosphide (Al1-x,TMxP; TM=V or Cr, x=0.0625) in zinc-blende phase using the full-potential linearized augmented planewave method of density functional theory. The electronic structures show that Al0.9375V0.0625P and Al0.9375Cr0.0625P compounds are half-metallic ferromagnets with spin polarization of 100%. The half-metallic ferromagnetic behavior is confirmed by the integrals Bohr magneton of total magnetizations of 2 mu B and 3 mu B for Al0.9375V0.0625P and Al0.9375Cr0.0625P, respectively. In these compounds, the ferromagnetic state is originated from double-exchange mechanism. We have found that the half-metallic gap is 0.674 eV for Al0.9375V0.0625P and it is 0.523 eV for Al0.9375Cr0.0625P. Therefore, the V-doped AlP seems to be a better potential candidate than that of Cr-doped AlP for spintronic applications. (C) 2015 Elsevier Ltd. All rights reserved.

引用

页码：166 / 171

页数：6

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