Half-metallicity and tetragonal distortion in semi-Heusler alloy FeCrSe

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	Half-metallicity and tetragonal distortion in semi-Heusler alloy FeCrSe
	H. M. Huang; S. J. Luo; K. L. Yao
	2014
发表期刊	Journal of Applied Physics
ISSN	0021-8979
卷号	115 期号:4
摘要	Full-potential linearized augmented plane wave methods are carried out to investigate the electronic structures and magnetic properties in semi-Heusler alloy FeCrSe. Results show that FeCrSe is half-metallic ferromagnet with the half-metallic gap 0.31 eV at equilibrium lattice constant. Calculated total magnetic moment of 2.00 mu(B) per formula unit follows the Slater-Pauling rule quite well. Two kinds of structural changes are used to investigate the sensitivity of half-metallicity. It is found that the half-metallicity can be retained when lattice constant is changed by -4.56% to 3.52%, and the results of tetragonal distortion indicate the half-metallicity can be kept at the range of c/a ratio from 0.85 to 1.20. The Curie temperature, cohesive energy, and heat of formations of FeCrSe are also discussed. (C) 2014 AIP Publishing LLC.
部门归属	[huang, h. m. ; luo, s. j.] hubei univ automot technol, sch sci, shiyan 442002, peoples r china. [yao, k. l.] huazhong univ sci & technol, sch phys, wuhan 430074, peoples r china. [yao, k. l.] chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china. ; huang, hm (reprint author), hubei univ automot technol, sch sci, shiyan 442002, peoples r china. ; smilehhm@163.com
关键词	Brillouin-zone Integrations Electronic-structure Magnetic Semiconductors Transformation Ferromagnets Ni2mnga Cro2 Te Sb
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/72547
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. M. Huang,S. J. Luo,K. L. Yao. Half-metallicity and tetragonal distortion in semi-Heusler alloy FeCrSe[J]. Journal of Applied Physics,2014,115(4).
APA	H. M. Huang,S. J. Luo,&K. L. Yao.(2014).Half-metallicity and tetragonal distortion in semi-Heusler alloy FeCrSe.Journal of Applied Physics,115(4).
MLA	H. M. Huang,et al."Half-metallicity and tetragonal distortion in semi-Heusler alloy FeCrSe".Journal of Applied Physics 115.4(2014).