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Title of article :
Study of structural stabilities and optical properties of HgTe under high pressure Original Research Article
Author/Authors :
Aimin Hao، نويسنده , , Xiaocui Yang، نويسنده , , Ruomeng Yu، نويسنده , , Chunxiao Gao، نويسنده , , Yonghao Han، نويسنده , , Riping Liu، نويسنده , , Yongjun Tian، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2009
Pages :
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Abstract :
A theoretical investigation on the structural stabilities and electronic properties of HgTe under high pressure was conducted using first principles based on density functional theory. Our results demonstrate that the sequence of the pressure-induced phase transitions of HgTe is from the zinc blende, to cinnabar, rocksalt, orthorhombic, and CsCl-type structures. The pressure effects on the optical properties were discussed and compared with previous calculations and experimental data whenever available.
Keywords :
A. Chalcogenides , C. ab initio calculations , C. High pressure , D. Optical properties , D. Phase transitions
Journal title :
Journal of Physics and Chemistry of Solids
Serial Year :
Link To Document :