journal article·2019-06-01Open access

Characterization of the pressure-induced phase transition of metallization for MoTe2 under hydrostatic and non-hydrostatic conditions

Linfei Yang, Lidong Dai, Heping Li, Haiying Hu, Kaixiang Liu, Chang Pu, Meiling Hong, Pengfei Liu

AIP Advances· Volume 9· Issue 6

Abstract

This study reported a pressure-induced metallization for molybdenum tellurium under different pressure environments up 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 ∼12.5 GPa and irreversible, while it occurred at a higher pressure of ∼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.
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Research context

OpenAlex topics: 2D Materials and Applications · High-pressure geophysics and materials · Organic and Molecular Conductors Research

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Affiliations

Key Laboratory of High-Temperature and High-Pressure Study of the Earth’s Interior, Institute of Geochemistry, Chinese Academy of Sciences 1 , Guiyang, Guizhou 550081, China

University of Chinese Academy of Sciences 2 , Beijing 100049, China

State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences 3 , Fuzhou, Fujian 350002, China

Funding

Hundred Talents Program of CAS, NSF of China · Key Research Program of Frontier Sciences of CAS · Special Fund of the West Light Foundation of CAS, and Postdoctoral Science Foundation of China · Supercomputer Center of Fujian Institute of Research on the Structure of Matter · Youth Innovation Promotion Association of the Chinese Academy of Sciences

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