Calculation of Half-Metal, Debye and Curie Temperatures of Co2 VAl Compound: First Principles Study

被引：43

作者：

Boochani, Arash ^{[1
]}

Khosravi, Heidar ^{[1
]}

Khodadadi, Jabbar ^{[1
]}

Solaymani, Shahram ^{[2
]}

Sarmazdeh, Masoud Majidiyan ^{[3
]}

Mendi, Rohollah Taghavi ^{[4
]}

Elahi, Sayed Mohammad ^{[4
]}

机构：

[1] Islamic Azad Univ, Kermanshah Branch, Dept Phys, Kermanshah, Iran

[2] Islamic Azad Univ, Kermanshah Branch, Young Researchers & Elite Club, Kermanshah, Iran

[3] Payame Noor Univ, Dept Phys, Mashhad, Iran

[4] Islamic Azad Univ, Dept Phys, Mashhad Branch, Mashhad, Iran

来源：

COMMUNICATIONS IN THEORETICAL PHYSICS | 2015年 / 63卷 / 05期

关键词：

exchange energy; Debye temperature; Curie temperature; Co-2; VAl; GGA plus U; MAGNETO-OPTICAL PROPERTIES; ELECTRONIC-STRUCTURE; HEUSLER ALLOYS; FULL-HEUSLER; HYPERFINE FIELD; COBALT; ORDER; AL;

D O I：

10.1088/0253-6102/63/5/641

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

By FP-LAPW calculations, the structural, elastic, Debye and Curie temperatures, electronic and magnetic properties of Co-2 VAl are investigated. The results indicate that Ferromagnetic (FM) phase is more stable than Anti-Ferromagnetic (AFM) and Non-magnetic (NM) ones. In addition, C-11-C-12 > 0, C-44 > 0, and B > 0 so Co-2 VAl is an elastically stable material with high Debye temperature. Also, the B/G ratio exhibits a ductility behavior. The relatively high Curie temperature provides it as a favorable material for spintronic application. It's electronic and magnetic properties are studied by GGA+U approach leading to a 100% spin polarization at Fermi level.

引用

页码：641 / 647

页数：7

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