Chalcogen vacancies in monolayer transition metal dichalcogenides and Fermi level pinning at contacts
Applied Physics Letters
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Guo, Y., Liu, D., & Robertson, J. (2015). Chalcogen vacancies in monolayer transition metal dichalcogenides and Fermi level pinning at contacts. Applied Physics Letters, 106 (173106)https://doi.org/10.1063/1.4919524
It is predicted that the Schottky barriers of the transition metal dichalcogenides WS_2, MoSe_2, WSe_2, MoTe_2, and WTe_2 will suffer from less Fermi level pinning than MoS2 due to anion vacancies, because their vacancy formation energies is larger. The anion vacancy levels of WS2, WSe2, and MoSe2 and MoTe2 are also calculated to lie nearer midgap, so that ambipolar conduction should be easier in these compounds than in MoS2.
Vacancies, Band gap, Fermi levels, Molybdenum, Density functional theory
The authors are grateful for financial support from the National Natural Science Foundation of China (Grant No.51105222), Beijing Research Program (Grant No. 100322002).
External DOI: https://doi.org/10.1063/1.4919524
This record's URL: https://www.repository.cam.ac.uk/handle/1810/249041