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Ab initio molecular dynamics simulation of structural transformation in zinc blende GaN under high pressure

โœ Scribed by H.Y. Xiao; Fei Gao; X.T. Zu; W.J. Weber


Book ID
116605757
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
595 KB
Volume
490
Category
Article
ISSN
0925-8388

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Ab initio molecular dynamics simulations
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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