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Ab initio Molecular-Dynamics Simulations of Anomalous Structural Change in Liquid Tellurium under Pressure

โœ Scribed by Shimojo, Fuyuki; Hoshino, Kozo; Zempo, Y.


Book ID
120195980
Publisher
Institute of Pure and Applied Physics
Year
2003
Tongue
English
Weight
267 KB
Volume
72
Category
Article
ISSN
0031-9015

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Ab initio molecular dynamics simulations
โœ Gang Zhao; Yue Zhao; Yubing Wang; Haifeng Mu ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 1021 KB

The temperature dependence of atomic and electronic structures in liquid Se 30 Te 70 is studied using ab initio molecular dynamics simulations. Our work verifies the structural change from low-to highdensity phases observed in experiments. Moreover, we show that the structure of low-density liquid i