This study reported a pressure-induced metallization for molybdenum tellurium under different pressure environments up to similar to 25.9 GPa through a series of experiments and first-principles theoretical calculations. This metallization was closely related to the gradual closure of bandgap rather than the structural phase transition. Under the non-hydrostatic environment, the metallization point was similar to 12.5 GPa and irreversible, while it occurred at a higher pressure of similar to 14.9 GPa and was reversible under the hydrostatic environment. We ascribed these discrepancies to the strong deviatoric stress, which reinforced the Te-Te interactions and caused the permanent plastic deformation of the interlayer spacing. Publication name | AIP ADVANCES, 9 (6):10.1063/1.5097428 JUN 2019 | Author(s) | Yang, Linfei; Dai, Lidong; Li, Heping; Hu, Haiying; Liu, Kaixiang; Pu, Chang; Hong, Meiling; Liu, Pengfei | Corresponding author(s) | DAI Lidong dailidong@vip.gyig.ac.cn Chinese Acad Sci, Inst Geochem, Key Lab High Temp & High Pressure Study Earths In, Guiyang 550081, Guizhou, Peoples R China. | View here for the details
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