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• W2064559891 abstract "The structural phase transformations of ZnSe under high pressure are studied by using a first-principles pseudopotential method and the local density approximation for the exchange-correlation potential. A new phase, which is simple cubic with a 16-atom basis (SC16), is predicted to be thermodynamically stable between 9.2 and 16.4 GPa, which is below the stability pressure range of the rock-salt structure. The cinnabar structure of ZnSe is found to be unstable, contrary to the findings of a previous theoretical investigation. The structural properties of the zinc-blende, rock-salt, cinnabar and SC16 phases are presented." @default.
• W2064559891 created "2016-06-24" @default.
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• W2064559891 date "2000-02-10" @default.
• W2064559891 modified "2023-10-12" @default.
• W2064559891 title "<i>Ab initio</i>study of the phase transformations of ZnSe under high pressure: stability of the cinnabar and SC16 phases" @default.
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• W2064559891 doi "https://doi.org/10.1088/0953-8984/12/8/313" @default.
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