@inproceedings{4720e81be116481ca6207a7fc665803c,
title = "First-principle investigation on the secondary bond in stable mGeTe·nSb2Te3 pseudo-binary chalcogenides",
abstract = "The Te-Te van der Waals-type secondary bond in stable mGeTe·nSb2Te3 (GST) pseudo-binary chalcogenides was investigated by means of ab initio calculations. The generalized gradient approximation of Perdew-Burke-Ernzerhof pseudopotential describes the Te-Te secondary bond very well. Whereas the local density approximation pseudopotential over-estimates the bond energy by underestimating the repulsive forces between the adjacent Te atoms. The electron localization function illustrates the chemical bonding nature of the Te-Te secondary bond. Our present results will shed insights on the secondary bonds in GST phase change materials.",
keywords = "First-principle calculations, GeSbTe, Phase change materials, Secondary bond",
author = "Sa, \{Bai Sheng\} and Jian Zhou and Sun, \{Zhi Mei\}",
note = "Publisher Copyright: {\textcopyright} (2015) Trans Tech Publications, Switzerland.; Chinese Materials Congress, CMC 2014 ; Conference date: 04-07-2014 Through 07-07-2014",
year = "2015",
doi = "10.4028/www.scientific.net/MSF.817.778",
language = "英语",
series = "Materials Science Forum",
publisher = "Trans Tech Publications Ltd",
pages = "778--783",
editor = "Yafang Han and Xuefeng Liu and Ying Wu",
booktitle = "Basic Research of Materials",
address = "瑞士",
}