Origin of short- and medium-range order in supercooled liquid Ge3Sb2Te6 using ab initio molecular dynamics simulations

Author:

Qiao Chong1234ORCID,Guo Y. R.1234,Wang Songyou12345ORCID,Jia Yu674ORCID,Wang Cai-Zhuang89101112ORCID,Ho Kai-Ming89101112

Affiliation:

1. Shanghai Ultra-Precision Optical Manufacturing Engineering Center and Department of Optical Science and Engineering

2. Fudan University

3. Shanghai

4. China

5. Key Laboratory for Information Science of Electromagnetic Waves (MoE)

6. Key Laboratory for Special Functional Materials of Ministry of Education and School of Materials Science and Engineering, Henan University

7. Kaifeng

8. Ames Laboratory

9. US Department of Energy and Department of Physics

10. Iowa State University

11. Ames

12. USA

Abstract

The disordered clusters in Ge3Sb2Te6 change to ordered octahedrons by adjustment of the bond-angle relationship as the temperature decreases.

Funder

National Natural Science Foundation of China

Science and Technology Commission of Shanghai Municipality

Basic Energy Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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