Electronic and magnetic properties of transition metal doped MgO sheet: A density-functional study

CORC > 武汉物理与数学研究所 > 中国科学院武汉物理与数学研究所 > 原子分子光物理研究部

	Electronic and magnetic properties of transition metal doped MgO sheet: A density-functional study
	Wu, Ping 1,2; Cao, Gengyu 1; Tang, Fuling 3; Huang, Min 1
刊名	COMPUTATIONAL MATERIALS SCIENCE
	2014-04-15
卷号	86 页码:180-185
关键词	Transition metal (TM) Doping MgO sheet Density-functional theory (DFT) Two-dimensional diluted magnetic semiconductors (2D DMSs)
英文摘要	The stable geometries, electronic and magnetic properties of MgO sheets with Mg atom substituted by 3d transition metals (TM) (Mn, Fe, Co, and Ni) were investigated by First-principles calculations. The atomic structures of Co- and Ni-doped MgO sheets undergo larger distortions than those of Mn- and Fe-doped MgO sheets. Mn, Fe and Co atoms are found to be more suitable to dope into MgO sheet compared with Ni atom. The band gaps of MgO sheets are tunable and the magnetic properties of MgO sheets can be modified, which mainly originate from the d-orbitals of TM atoms. The present results indicate that the TM-doped MgO sheets maybe have potential applications in spintronics and magnetic data storage. (C) 2014 Elsevier B.V. All rights reserved.
WOS标题词	Science & Technology ; Technology
类目[WOS]	Materials Science, Multidisciplinary
研究领域[WOS]	Materials Science
关键词[WOS]	SEMICONDUCTORS ; 1ST-PRINCIPLES
收录类别	SCI
语种	英语
WOS记录号	WOS:000333947000026
公开日期	2016-05-09
内容类型	期刊论文
源URL	[http://ir.wipm.ac.cn/handle/112942/1505]
专题	武汉物理与数学研究所_原子分子光物理研究部
作者单位	1.Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Lanzhou Univ Technol, Dept Mat Sci & Engn, State Key Lab Gansu Adv Nonferrous Met Mat, Lanzhou 730050, Peoples R China
推荐引用方式 GB/T 7714	Wu, Ping,Cao, Gengyu,Tang, Fuling,et al. Electronic and magnetic properties of transition metal doped MgO sheet: A density-functional study[J]. COMPUTATIONAL MATERIALS SCIENCE,2014,86:180-185.
APA	Wu, Ping,Cao, Gengyu,Tang, Fuling,&Huang, Min.(2014).Electronic and magnetic properties of transition metal doped MgO sheet: A density-functional study.COMPUTATIONAL MATERIALS SCIENCE,86,180-185.
MLA	Wu, Ping,et al."Electronic and magnetic properties of transition metal doped MgO sheet: A density-functional study".COMPUTATIONAL MATERIALS SCIENCE 86(2014):180-185.