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Ab initio study of lattice instabilities of zinc chalcogenides ZnX (X=O, S, Se, Te) induced by ultrafast intense laser irradiation

Ab initio calculations of lattice constants, lattice stabilities of ZnX (X=O, S, Se, Te) at different electronic temperatures (Te) have been performed using generalized gradient approximation (GGA) pseudopotential method within the density functional theory (DFT). The calculated phonon frequencies o...

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Main Authors: Dahua Ren, Baoyan Xiang, Yanjun Gao, Cheng Hu, Hong Zhang
格式: Artigo
語言:Inglês
出版: AIP Publishing LLC 2017-09-01
叢編:AIP Advances
在線閱讀:http://dx.doi.org/10.1063/1.4999445
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