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

被引：47

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

共 56 条

[1] Material design of half-metallic zinc-blende CrAs and the synthesis by molecular-beam epitaxy [J].

Akinaga, H ;

Manago, T ;

Shirai, M .

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS, 2000, 39 (11B) :L1118-L1120

[2] A SIMPLIFIED METHOD FOR CALCULATING DEBYE TEMPERATURE FROM ELASTIC CONSTANTS [J].

ANDERSON, OL .

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1963, 24 (07) :909-&

[3] DENSITY-FUNCTIONAL CALCULATION OF EFFECTIVE COULOMB INTERACTIONS IN METALS [J].

ANISIMOV, VI ;

GUNNARSSON, O .

PHYSICAL REVIEW B, 1991, 43 (10) :7570-7574

[4] CALCULATION OF COULOMB INTERACTION STRENGTHS FOR 3D TRANSITION-METALS AND ACTINIDES [J].

BANDYOPADHYAY, T ;

SARMA, DD .

PHYSICAL REVIEW B, 1989, 39 (06) :3517-3521

[5] Thermal properties of Nb2SnC [J].

Barsoum, MW ;

El-Raghy, T ;

Porter, WD ;

Wang, H ;

Ho, JC ;

Chakraborty, S .

JOURNAL OF APPLIED PHYSICS, 2000, 88 (11) :6313-6316

[6] Microstrip line ferromagnetic resonance and Brillouin light scattering investigations of magnetic properties of Co2MnGe Heusler thin films [J].

Belmeguenai, M. ;

Zighem, F. ;

Roussigne, Y. ;

Cherif, S-M. ;

Moch, P. ;

Westerholt, K. ;

Woltersdorf, G. ;

Bayreuther, G. .

PHYSICAL REVIEW B, 2009, 79 (02)

[7] FULL-POTENTIAL, LINEARIZED AUGMENTED PLANE-WAVE PROGRAMS FOR CRYSTALLINE SYSTEMS [J].

BLAHA, P ;

SCHWARZ, K ;

SORANTIN, P ;

TRICKEY, SB .

COMPUTER PHYSICS COMMUNICATIONS, 1990, 59 (02) :399-415

[8]

Blaha P., 2001, CALCULATING CRYST PR, V60

[9] MAGNETIC AND MAGNETO-OPTICAL PROPERTIES OF HEUSLER ALLOYS BASED ON ALUMINUM AND GALLIUM [J].

BUSCHOW, KHJ ;

VANENGEN, PG .

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 1981, 25 (01) :90-96

[10] MAGNETO-OPTICAL PROPERTIES OF METALLIC FERROMAGNETIC MATERIALS [J].

BUSCHOW, KHJ ;

VANENGEN, PG ;

JONGEBREUR, R .

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 1983, 38 (01) :1-22

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