Half metallicity through wide range of lattice constants in Heusler alloys Co2MnGa1-xGex: First-principles calculations

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	Half metallicity through wide range of lattice constants in Heusler alloys Co2MnGa1-xGex: First-principles calculations
	H. M. Huang; S. J. Luo; K. L. Yao
	2012
发表期刊	Physica Status Solidi B-Basic Solid State Physics
ISSN	0370-1972
卷号	249 期号:4 页码:840-846
摘要	The electronic and magnetic properties of Heusler alloys Co2MnGa1-xGex (x?=?0.00, 0.25, 0.50, 0.75, and 1.00) have been investigated using first-principles density functional theory within the generalized gradient approximation (GGA) scheme. The calculations reveal that with increasing x the lattice constants slightly decrease. When x?=?0.5, alloys are half-metallic (HM) ferromagnets and the total magnetic moments obey Slater-Pauling rule quite well. Mn atoms show high spin states due to the special sites in compounds. The ferromagnetic couplings are observed in Co2MnGa1-xGex alloys. The sensitivity of half-metallicity and the change of HM gap for specific lattice constants are also discussed in detail. Calculated results show the half-metallicity of Co2MnGa0.25Ge0.75 can be maintained in a wider lattice constant range.
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	First-principles Calculations Half-metallicity Heusler Alloys Ab-initio Si Compound Ge Spintronics Prediction Mn Fe Ga Al
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/60010
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 through wide range of lattice constants in Heusler alloys Co2MnGa1-xGex: First-principles calculations[J]. Physica Status Solidi B-Basic Solid State Physics,2012,249(4):840-846.
APA	H. M. Huang,S. J. Luo,&K. L. Yao.(2012).Half metallicity through wide range of lattice constants in Heusler alloys Co2MnGa1-xGex: First-principles calculations.Physica Status Solidi B-Basic Solid State Physics,249(4),840-846.
MLA	H. M. Huang,et al."Half metallicity through wide range of lattice constants in Heusler alloys Co2MnGa1-xGex: First-principles calculations".Physica Status Solidi B-Basic Solid State Physics 249.4(2012):840-846.