The impact of vacancies on the stability of cubic phases in Sb-Te binary compounds

doi:10.1038/s41427-019-0140-z

	The impact of vacancies on the stability of cubic phases in Sb-Te binary compounds
	Chen, Xin1,2,3 ; Liu, Xianqiang 2; Cheng, Yan 1,4; Song, Zhitang 1
	2019-07-26
发表期刊	NPG ASIA MATERIALS (IF:8.6[JCR-2023],9.6[5-Year])
ISSN	1884-4049
卷号	11
发表状态	已发表
DOI	10.1038/s41427-019-0140-z
摘要	Data retention ability and number of cycles are key properties of phase change materials in applications. Combining in situ heating transmission electron microscopy with ab initial calculations, we investigated the phase transitions of binary Sb-Te compounds. The calculations indicated that the vacancies in Te sites destroyed the framework of the cubic phase, which agrees well with the absence of cubic phases observed during in situ heating experiments when the Sb concentration exceeded 50%. In contrast, the vacancies in Sb sites stabilized the cubic structure. Further analysis of the charge density maps revealed that the distribution of antibonding electrons may be the origin of the driving force for structural transitions. Furthermore, our results also showed that reducing the vacancies greatly increased the phase transition temperatures of both the amorphous-cubic and cubic-trigonal phases and therefore may improve the data retention ability and cyclability of phase change materials. This result also implies that doping Sb-Te compounds may provide an approach to discover novel phase change materials by reducing the amount of vacancies.
收录类别	SCI ; SCIE ; EI
语种	英语
资助项目	National Natural Science Foundation of China[61504157]
WOS研究方向	Materials Science
WOS类目	Materials Science, Multidisciplinary
WOS记录号	WOS:000478805500001
出版者	NATURE PUBLISHING GROUP
EI主题词	Antimony ; High resolution transmission electron microscopy ; Tellurium compounds
WOS关键词	DISORDER ; METAL ; COHP
原始文献类型	Article
引用统计	正在获取...
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/61149
专题	物质科学与技术学院_博士生
通讯作者	Liu, Xianqiang; Song, Zhitang
作者单位	1.Chinese Acad Sci, Shanghai Inst Microsyst & Informat Technol, State Key Lab Funct Mat Informat, Shanghai 200050, Peoples R China 2.Beijing Univ Technol, Inst Microstruct & Property Adv Mat, Beijing 100124, Peoples R China 3.Shanghai Tech Univ, Sch Phys Sci & Technol, Shanghai 201210, Peoples R China 4.East China Normal Univ, Dept Optoelect, Key Lab Polar Mat & Devices MOE, Shanghai 200241, Peoples R China
第一作者单位	物质科学与技术学院
推荐引用方式 GB/T 7714	Chen, Xin,Liu, Xianqiang,Cheng, Yan,et al. The impact of vacancies on the stability of cubic phases in Sb-Te binary compounds[J]. NPG ASIA MATERIALS,2019,11.
APA	Chen, Xin,Liu, Xianqiang,Cheng, Yan,&Song, Zhitang.(2019).The impact of vacancies on the stability of cubic phases in Sb-Te binary compounds.NPG ASIA MATERIALS,11.
MLA	Chen, Xin,et al."The impact of vacancies on the stability of cubic phases in Sb-Te binary compounds".NPG ASIA MATERIALS 11(2019).