| CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
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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
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| Cite this article: |
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Hu Cheng, Yan-Chun Li, Gong Li et al 2016 Chin. Phys. Lett. 33 096104 |
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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.
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Received: 02 June 2016
Published: 30 September 2016
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| PACS: |
61.50.-f
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(Structure of bulk crystals)
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61.50.Ks
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(Crystallographic aspects of phase transformations; pressure effects)
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81.30.Hd
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(Constant-composition solid-solid phase transformations: polymorphic, massive, and order-disorder)
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