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Title: Atomic scale insight into the amorphous structure of Cu doped GeTe phase-change material

GeTe shows promising application as a recording material for phase-change nonvolatile memory due to its fast crystallization speed and extraordinary amorphous stability. To further improve the performance of GeTe, various transition metals, such as copper, have been doped in GeTe in recent works. However, the effect of the doped transition metals on the stability of amorphous GeTe is not known. Here, we shed light on this problem for the system of Cu doped GeTe by means of ab initio molecular dynamics calculations. Our results show that the doped Cu atoms tend to agglomerate in amorphous GeTe. Further, base on analyzing the pair correlation functions, coordination numbers and bond angle distributions, remarkable changes in the local structure of amorphous GeTe induced by Cu are obviously seen. The present work may provide some clues for understanding the effect of early transition metals on the local structure of amorphous phase-change compounds, and hence should be helpful for optimizing the structure and performance of phase-change materials by doping transition metals.
Authors:
;  [1] ; ;  [2] ;  [3]
  1. Department of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005 (China)
  2. School of Materials Science and Engineering, and Center for Integrated Computational Materials Engineering, International Research Institute for Multidisciplinary Science, Beihang University, Beijing 100191 (China)
  3. State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Micro-System and Information Technology, CAS, 200050 Shanghai (China)
Publication Date:
OSTI Identifier:
22305813
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 116; Journal Issue: 15; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; AMORPHOUS STATE; BOND ANGLE; COPPER ADDITIONS; CORRELATION FUNCTIONS; CRYSTALLIZATION; DISTRIBUTION; DOPED MATERIALS; GERMANIUM TELLURIDES; MOLECULAR DYNAMICS METHOD; PHASE CHANGE MATERIALS; STABILITY; VISIBLE RADIATION