Robust highly-spin-polarized ferromagnetism in hexagonal CrGa(7)N(8) and MnGa(7)N(8)

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	Robust highly-spin-polarized ferromagnetism in hexagonal CrGa(7)N(8) and MnGa(7)N(8)
	Zhu, LF ; Liu, BG
刊名	JOURNAL OF PHYSICS D-APPLIED PHYSICS
	2008
卷号	41 期号:21
关键词	HALF-METALLIC FERROMAGNETISM MOLECULAR-BEAM-EPITAXY TEMPERATURE FERROMAGNETISM MAGNETIC-PROPERTIES DOPED GAN MN FILMS ZNO SEMICONDUCTORS GAMNN
ISSN号	0022-3727
通讯作者	Zhu, LF (reprint author), Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China.
中文摘要	Motivated by high-temperature ferromagnetism in transition-metal doped gallium nitrides, we study 12.5% transition-metal-substituted wurtzite GaN, XGa(7)N(8) (X = Cr, Mn, Fe, Co, Ni), using a full-potential density-functional method. Our calculated results show that CrGa(7)N(8) is a metallic ferromagnet and MnGa(7)N(8) is a typical half-metallic ferromagnet with a large half-metallic gap of 0.75 eV. They both have high spin polarization at the Fermi levels, 96.8% for CrGa(7)N(8) and 99.9% for MnGa(7)N(8) with spin - orbit coupling taken into account. Their ferromagnetism is very robust against the corresponding antiferromagnetic fluctuations and is attributed to the right positions of the d levels and the large spin exchange splitting driven by strong p - d hybridization. Antiferromagnetic orders are shown to be favourable in the cases of Fe, Co and Ni because their d levels are much lower in energy than that of both Cr and Mn and the majority-spin parts of them are merged in the valence bands of wurtzite GaN. The two highly-spin-polarized ferromagnetic phases should play some important roles in the ferromagnetism in GaN-based diluted magnetic semiconductors and could be realized in future high-quality samples.
收录类别	SCI
资助信息	Nature Science Foundation of China [10774180, 90406010, 60621091]; National Key Projects of Basic Research [2005CB623602]; Chinese Academy of Sciences [KJCX2.YW.W09-5]
语种	英语
公开日期	2013-09-24
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/52205]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Zhu, LF,Liu, BG. Robust highly-spin-polarized ferromagnetism in hexagonal CrGa(7)N(8) and MnGa(7)N(8)[J]. JOURNAL OF PHYSICS D-APPLIED PHYSICS,2008,41(21).
APA	Zhu, LF,&Liu, BG.(2008).Robust highly-spin-polarized ferromagnetism in hexagonal CrGa(7)N(8) and MnGa(7)N(8).JOURNAL OF PHYSICS D-APPLIED PHYSICS,41(21).
MLA	Zhu, LF,et al."Robust highly-spin-polarized ferromagnetism in hexagonal CrGa(7)N(8) and MnGa(7)N(8)".JOURNAL OF PHYSICS D-APPLIED PHYSICS 41.21(2008).