Structural Phase Transitions of ZnTe under High Pressure Using Experiments and Calculations
Hu Cheng1,2, Yan-Chun Li2**, Gong Li1, Xiao-Dong Li2
1State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 2Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049
Abstract：The pressure-induced structural transitions of ZnTe are investigated at pressures up to 59.2 GPa in a diamond anvil cell by using synchrotron powder x-ray diffraction method. A phase transition from the initial zinc blende (ZB, ZnTe-I) structure to a cinnabar phase (ZnTe-II) is observed at 9.6 GPa, followed by a high pressure orthorhombic phase (ZnTe-III) with $Cmcm$ symmetry at 12.1 GPa. The ZB, cinnabar (space group $P3_{1}21$), $Cmcm$, $P3_{1}$ and rock salt structures of ZnTe are investigated by using density functional theory calculations. Based on the experiments and calculations, the ZnTe-II phase is determined to have a cinnabar structure rather than a $P3_{1}$ symmetry.
(Constant-composition solid-solid phase transformations: polymorphic, massive, and order-disorder)
引用本文:
. [J]. 中国物理快报, 2016, 33(09): 96104-096104.
Hu Cheng, Yan-Chun Li, Gong Li, Xiao-Dong Li. Structural Phase Transitions of ZnTe under High Pressure Using Experiments and Calculations. Chin. Phys. Lett., 2016, 33(09): 96104-096104.
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