Magnesiothermically reduced diatomaceous earth as a porous silicon anode material for lithium ion batteries

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	Magnesiothermically reduced diatomaceous earth as a porous silicon anode material for lithium ion batteries
	Shen, LY ; Guo, XW ; Fang, XP ; Wang, ZX ; Chen, LQ
刊名	JOURNAL OF POWER SOURCES
	2012
卷号	213 页码:229
关键词	NEGATIVE ELECTRODES RAMAN-SPECTROSCOPY NANO-SILICON STORAGE
ISSN号	0378-7753
通讯作者	Wang, ZX: Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condense Matter Phys, Key Lab Renewable Energy,Beijing Key Lab New Ener, Beijing 100190, Peoples R China.
中文摘要	In this paper, we report the implementation of first-principles calculations of Z(2) topological invariants within the full-potential linearized augmented plane-wave (FP-LAPW) formalism. In systems with both time-reversal and spatial inversion symmetry (centrosymmetric), one can use the parity analysis of Bloch functions at time-reversal invariant momenta to determine the Z(2) invariants. In systems without spatial inversion symmetry (noncentrosymmetric), however, a more complex and systematic method in terms of the Berry gauge potential and the Berry curvature is required to identify the band topology. We show in detail how both methods are implemented in FP-LAPW formalism and applied to several classes of materials including centrosymmetric compounds Bi2Se3 and Sb2Se3 and noncentrosymmetric compounds LuPtBi, AuTlS2 and CdSnAs2. Our work provides an accurate and effective implementation of first-principles calculations to speed up the search of new topological insulators. (C) 2012 Elsevier B.V. All rights reserved.
收录类别	SCI
资助信息	National 973 Program [2009CB220100]; National Science Foundation of China (NSFC) [50472072, 20974120]
语种	英语
公开日期	2013-09-18
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/41119]
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	Shen, LY,Guo, XW,Fang, XP,et al. Magnesiothermically reduced diatomaceous earth as a porous silicon anode material for lithium ion batteries[J]. JOURNAL OF POWER SOURCES,2012,213:229.
APA	Shen, LY,Guo, XW,Fang, XP,Wang, ZX,&Chen, LQ.(2012).Magnesiothermically reduced diatomaceous earth as a porous silicon anode material for lithium ion batteries.JOURNAL OF POWER SOURCES,213,229.
MLA	Shen, LY,et al."Magnesiothermically reduced diatomaceous earth as a porous silicon anode material for lithium ion batteries".JOURNAL OF POWER SOURCES 213(2012):229.