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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 1004-1005The Theoretical Study of the Cinnabar-to-Rocksalt...

The Theoretical Study of the Cinnabar-to-Rocksalt Phase Transitions of HgTe and CdTe under High Pressure

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Abstract:

We performed the first-principle calculation to study the structures of cinnabar phase and the Cinnabar-to-rocksalt Phase transitions of HgTe and CdTe under high pressure. The calculated results show that for HgTe, the zincblende-to-cinnabar phase transition is under 2.2GPa, and the cinnabar-to-rocksalt phase transition is under 5.5 GPa; For CdTe, the two phase transitions occur under 4.0 GPa and 4.9 GPa, respectively, which well agree with the experimental results. The cinnabar-to-rocksalt phase transitions of most compounds, including HgTe and CdTe, except HgS are of first-order, and it is due to that their cinnabar phases are not chain structure as HgS and there are no relaxation process before the phase transition.

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Advanced Materials Research (Volumes 1004-1005)

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1608-1614

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https://doi.org/10.4028/www.scientific.net/AMR.1004-1005.1608

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August 2014

Authors:

Xi Duo Hu*, De Hai Zhu, Zhi Feng Zeng, Shao Rui Sun

Keywords:

Cinnabar Phase, High Pressure, Phase Transition

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© 2014 Trans Tech Publications Ltd. All Rights Reserved

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