Vacancy or not: An insight on the intrinsic vacancies in rocksalt-structured GeSbTe alloys from ab initio calculations

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	Vacancy or not: An insight on the intrinsic vacancies in rocksalt-structured GeSbTe alloys from ab initio calculations
	Zhou, J. ; Sun, Z. ; Pan, Y. ; Song, Z. ; Ahuja, R. ; Zhou J(周健)
刊名	http://dx.doi.org/10.1209/0295-5075/95/27002
	2011-07
关键词	PHASE-CHANGE MATERIALS MOLECULAR-DYNAMICS TRANSITION MEMORY
英文摘要	National Natural Science Foundation of China [60976005]; Outstanding Young Scientists Foundation of Fujian Province of China [2010J06018]; program for New Century Excellent Talents in University [NCET-08-0474]; State Key Laboratory of Functional Materials; Rocksalt-structured GeSbTe (GST) phase-change materials contain significant amounts of intrinsic vacancies at one sublattice. On the basis of ab initio total energy calculations, we have shown that the so-called intrinsic vacancies result from geometrical voids that originate from packing spaces for lone pairs of electrons tightly bound to specific Te layers where a weak bonding exists. The existence of such geometrical voids is concomitant with a narrow band gap. The present results will shed new insights on the intrinsic vacancies in rocksalt-structured GST. Copyright (C) EPLA, 2011
语种	英语
出版者	EPL-EUROPHYS LETT
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/87171]
专题	材料学院－已发表论文
推荐引用方式 GB/T 7714	Zhou, J.,Sun, Z.,Pan, Y.,et al. Vacancy or not: An insight on the intrinsic vacancies in rocksalt-structured GeSbTe alloys from ab initio calculations[J]. http://dx.doi.org/10.1209/0295-5075/95/27002,2011.
APA	Zhou, J.,Sun, Z.,Pan, Y.,Song, Z.,Ahuja, R.,&周健.(2011).Vacancy or not: An insight on the intrinsic vacancies in rocksalt-structured GeSbTe alloys from ab initio calculations.http://dx.doi.org/10.1209/0295-5075/95/27002.
MLA	Zhou, J.,et al."Vacancy or not: An insight on the intrinsic vacancies in rocksalt-structured GeSbTe alloys from ab initio calculations".http://dx.doi.org/10.1209/0295-5075/95/27002 (2011).