Effect of dopants on the structure and properties of Ge2Sb2Te5 studied by Ab initio calculations

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	Effect of dopants on the structure and properties of Ge2Sb2Te5 studied by Ab initio calculations
	Zhou, Jian ; Sun, Zhimei ; Xu, Lihua ; Ahuja, Rajeev ; Zhou J(周健) ; Sun ZM(孙志梅)
刊名	http://dx.doi.org/10.1016/j.ssc.2008.07.046
	2008-10
关键词	PHASE-CHANGE MATERIALS MOLECULAR-DYNAMICS MEMORY TRANSITION TECHNOLOGIES FILM
英文摘要	Xiamen University; National Natural Science Foundation of China [50332010]; National Key Technologies R&D Program of China [2006BAB12B03, 2006BAB12B05]; Swedish Research Council; STINT; Ge2Sb2Te5 is technologically important for phase-change random access memory applications. In this work, the effect of doping Ag, Cd, in and Sn on the structure and chemical bonding of Ge2Sb2Te5 has been studied by ab initio calculations. It has been shown that the 3.7 at.% dopants drastically weaken the Te-Te bond strength in the -Te-(vacancy)-Te- configuration while maintaining its rocksalt symmetry. According to the analysis of formation energy, doping at the Ge site of Ge2Sb2Te5 phase is more favourable. The doped Ge2Sb2Te5 phases demonstrate either semiconductor or metallic behavior, which is attributed to the valence electrons of the dopants that mainly contribute to either the conductivity or chemical bonding. (C) 2008 Elsevier Ltd. All rights reserved.
语种	英语
出版者	SOLID STATE COMMUN
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/87194]
专题	材料学院－已发表论文
推荐引用方式 GB/T 7714	Zhou, Jian,Sun, Zhimei,Xu, Lihua,et al. Effect of dopants on the structure and properties of Ge2Sb2Te5 studied by Ab initio calculations[J]. http://dx.doi.org/10.1016/j.ssc.2008.07.046,2008.
APA	Zhou, Jian,Sun, Zhimei,Xu, Lihua,Ahuja, Rajeev,周健,&孙志梅.(2008).Effect of dopants on the structure and properties of Ge2Sb2Te5 studied by Ab initio calculations.http://dx.doi.org/10.1016/j.ssc.2008.07.046.
MLA	Zhou, Jian,et al."Effect of dopants on the structure and properties of Ge2Sb2Te5 studied by Ab initio calculations".http://dx.doi.org/10.1016/j.ssc.2008.07.046 (2008).