Structural and electronic phase transitions of MoTe 2 induced by Li ionic gating
Source abstract
Abstract
Abstract Monolayer MoTe 2 has semiconducting and semimetallic phases with small energy difference, and the relative stability is readily reversed by gating. By first-principles calculations, we investigate the changes in atomic structure, electronic structure, and relative stability of two phases induced by Li ionic gating. To model Li ionic gating, we employ two approaches; one is direct adsorption of Li on MoTe 2 and the other is introducing non-contacting Li plate over MoTe 2 . We show phonon instability in H -phase of MoTe 2 with increasing the amount of charge transfer from Li, which implies a large electron-phonon coupling in the system resulting in a charge density wave state. Structural distortion is also observed in highly doped T d phase. The transition energy barrier from distorted H phase to distorted T d phase is reduced considerably compared to that of pristine MoTe 2 .
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Research context
OpenAlex topics: 2D Materials and Applications · Topological Materials and Phenomena · Graphene research and applications
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Affiliations
University of Texas at Dallas
Funding
Korea Institute of Energy Technology Evaluation and Planning · National Research Foundation of Korea
References (28)
Show source-provided references
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