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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. © (2014) Trans Tech Publications, Switzerland.
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ISSN: 1022-6680
Year: 2014
Volume: 1004-1005
Page: 1608-1614
Language: English
Cited Count:
SCOPUS Cited Count: 1
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 6
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