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Phase stability and electronic structure of Si2Sb2Te5 phase-change material |
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| Authors: | Baisheng Sa Jian Zhou Zhimei Sun Rajeev Ahuja |
| Affiliation: | a Department of Materials Science and Engineering, College of Materials, Xiamen University, 361005 Xiamen, People’s Republic of China b State Key Laboratory of Functional Materials for Informatics, Laboratory of Nanotechnology, Shanghai Institute of Micro-System and Information Technology, Chinese Academy of Sciences, 200050 Shanghai, People’s Republic of China c Department of Physics and Materials Science, Condensed Matter Theory Group, Uppsala University, Box 530, 75121 Uppsala, Sweden |
| Abstract: | On the basis of an ab initio computational study, the present work provide a full understanding on the atomic arrangements, phase stability as well as electronic structure of Si2Sb2Te5, a newly synthesized phase-change material. The results show that Si2Sb2Te5 tends to decompose into Si1Sb2Te4 or Si1Sb4Te7 or Sb2Te3, therefore, a nano-composite containing Si1Sb2Te4, Si1Sb4Te7 and Sb2Te3 may be self-generated from Si2Sb2Te5. Hence Si2Sb2Te5 based nano-composite is the real structure when Si2Sb2Te5 is used in electronic memory applications. The present results agree well with the recent experimental work. |
| Keywords: | A. Nanostructure C. Ab initio calculations D. Crystal structure D. Electronic structure |
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