Study of electronic, magnetic, optical and elastic properties of Cu2MnAl a gapless full Heusler compound

被引：34

作者：

Rai, D. P. ^{[1
]}

Thapa, R. K. ^{[2
]}

机构：

[1] Beijing Computat Sci Res Ctr, Beijing 100084, Peoples R China

[2] Mizoram Univ, Dept Phys, Aizawl 796004, India

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 2014年 / 612卷

关键词：

Intermetallic compound; Magnetic materials; Magnetic properties; Optical properties; Elastic properties; PLASTICITY; ALUMINUM; HARDNESS; MOMENT; FILMS; MN;

D O I：

10.1016/j.jallcom.2014.05.056

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The full potential linearized augmented plane wave method with the generalized gradient approximation (FPLAPW-GGA) has been used to understand the electronic, magnetic, optical and elastic properties of Cu2MnAl a full-Heusler compound. The total and partial density of states (DOS), elastic constants, bulk modulus, shear modulus, Young modulus, Poisson ratio and optical constants like complex dielectric constant, refractive index, reflectivity, optical conductivity, etc. are obtained and compared with the available experimental and theoretical results. We have found that Cu2MnAl is a ferromagnet metallic compound, highly anisotropic and less ductile in nature with hardness factor 24.30 GPa. (C) 2014 Elsevier B.V. All rights reserved.

引用

页码：355 / 360

页数：6

共 43 条

[1]

Ajmad I., 2012, CHINESE PHYS LETT, V29

[2] Ab initio study of the bandgap engineering of Al1-xGaxN for optoelectronic applications [J].

Amin, B. ;

Ahmad, Iftikhar ;

Maqbool, M. ;

Goumri-Said, S. ;

Ahmad, R. .

JOURNAL OF APPLIED PHYSICS, 2011, 109 (02)

[3] Electronic structure, chemical bonding and elastic properties of the first thorium-containing nitride perovskite TaThN3 [J].

Bannikov, V. V. ;

Shein, I. R. ;

Ivanovskii, A. L. .

PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 2007, 1 (03) :89-91

[4]

Blaha P., An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties

[5] FP-APW plus lo calculations of the elastic properties in zinc-blende III-P compounds under pressure effects [J].

Bouhemadou, A. ;

Khenata, R. ;

Kharoubi, M. ;

Seddik, T. ;

Reshak, Ali H. ;

Al-Douri, Y. .

COMPUTATIONAL MATERIALS SCIENCE, 2009, 45 (02) :474-479

[6]

Bozorth R M., 1951, Ferromagnetism

[7] A study of the Cu2MnAl Heusler alloy using ultraviolet photoemission spectroscopy [J].

Brown, D ;

Crapper, MD ;

Bedwell, KH ;

Flannery, LB ;

Petty, M ;

Skull, PA .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1996, 8 (32) :5941-5950

[8] 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

[9] ELASTIC-CONSTANTS, HARDNESS AND THEIR IMPLICATIONS TO FLOW PROPERTIES OF METALLIC GLASSES [J].

CHEN, HS ;

KRAUSE, JT ;

COLEMAN, E .

JOURNAL OF NON-CRYSTALLINE SOLIDS, 1975, 18 (02) :157-171

[10] Modeling hardness of polycrystalline materials and bulk metallic glasses [J].

Chen, Xing-Qiu ;

Niu, Haiyang ;

Li, Dianzhong ;

Li, Yiyi .

INTERMETALLICS, 2011, 19 (09) :1275-1281

← 1 2 3 4 5 →