Effect of vacancy disorder in phase-change materials
SCIE
SCOPUS
- Title
- Effect of vacancy disorder in phase-change materials
- Authors
- Song, Young-Sun; Jhi, Seung-Hoon
- Date Issued
- 2020-04
- Publisher
- IOP PUBLISHING LTD
- Abstract
- Ge-Sb-Te-based phase-change materials (PCMs) exhibit contrasting electrical and optical properties upon change in atomic structures, which contain the octahedral p -orbital bonding and also substantial disordered vacancies. While extensive studies have been carried out, there is little detailed analysis of how the vacancy distribution and bonding nature are inter-correlated to affect the physical properties. We studied the effect of vacancy distribution on the octahedral p -bonding network in PCMs using a simple tight-binding model and ab initio calculations. We showed that the octahedral p -bonding network can be described as a collection of independent linear chains and that the vacancy disorders are rephrased as a distribution of atomic chain pieces. This finding enables to link the vacancy distribution to various aspects of materials properties such as total energy, structural distortions, and charge localization.
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/107911
- DOI
- 10.1088/1361-648X/ab680b
- ISSN
- 0953-8984
- Article Type
- Article
- Citation
- JOURNAL OF PHYSICS-CONDENSED MATTER, vol. 32, no. 17, 2020-04
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