Phase transition and electronic structure evolution of MoTe2 induced by W substitution

The transition-metal dichalcogenide compounds MoTe2 and WTe2 are polymorphic with both semiconducting and metallic phases. The thermodynamically stable phase of WTe2 at room temperature is orthorhombic and metallic and displays a wide range of interesting phenomena including type-II Weyl fermions, t...

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Published in:Physical review. B 2018-10, Vol.98 (14), p.144114
Main Authors: Jin, Wencan, Schiros, Theanne, Lin, Yi, Ma, Junzhang, Lou, Rui, Dai, Zhongwei, Yu, Jie-Xiang, Rhodes, Daniel, Sadowski, Jerzy T, Tong, Xiao, Qian, Tian, Hashimoto, Makoto, Lu, Donghui, Dadap, Jerry I, Wang, Shancai, G Santos, Elton J, Zang, Jiadong, Pohl, Karsten, Ding, Hong, Hone, James, Balicas, Luis, Pasupathy, Abhay N, Osgood, Richard M
Format: Article
Language:English
Subjects:
Composition
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Electronic structure
Fermions
First principles
Magnetoresistance
Magnetoresistivity
MATERIALS SCIENCE
Molybdenum compounds
Monolayers
Phase transitions
Phases
Photoelectric emission
Spin-orbit interactions
Structural analysis
Superconductivity
Tellurides
Transition metal compounds
Tuning
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Summary:The transition-metal dichalcogenide compounds MoTe2 and WTe2 are polymorphic with both semiconducting and metallic phases. The thermodynamically stable phase of WTe2 at room temperature is orthorhombic and metallic and displays a wide range of interesting phenomena including type-II Weyl fermions, titanic magnetoresistance and superconductivity in bulk, and quantum spin Hall insulator behavior in the monolayer case. On the other hand, the stable phase of MoTe2 at room temperature is a trigonal prismatic semiconductor that has a direct gap in the monolayer with strong spin-orbit coupling. The alloy series Mo1−xWxTe2 thus offers the possibility for tuning the structural and, consequently, electronic phases via tuning of the composition. Here, we report comprehensive studies of the electronic structure of Mo1−xWxTe2 alloys using angle-resolved photoemission spectroscopy and first-principles calculations as a function of composition. At room temperature, we find a sharp boundary between the orthorhombic and the trigonal prismatic phases at x=0.10 using structural characterization. We also show that by compositional tuning it is possible to control the band inversion in this series of compounds thus yielding important consequences for topological surface states.
ISSN:2469-9950
2469-9969
DOI:10.1103/PhysRevB.98.144114