Degenerately Doped Transition Metal Dichalcogenides as Ohmic Homojunction Contacts to Transition Metal Dichalcogenide Semiconductors.

Gao, Zhibin; Zhou, Zhixian; Tománek, David · ACS Nano · 2019

basic_science · Level V

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Abstract

In search of an improved strategy to form low-resistance contacts to MoS<sub>2</sub> and related semiconducting transition metal dichalcogenides, we use ab initio density functional electronic structure calculations in order to determine the equilibrium geometry and electronic structure of MoO<sub>3</sub>/MoS<sub>2</sub> and MoO<sub>2</sub>/MoS<sub>2</sub> bilayers. Our results indicate that, besides a rigid band shift associated with charge transfer, the presence of molybdenum oxide modifies the electronic structure of MoS<sub>2</sub> very little. We find that the charge transfer in the bilayer provides a sufficient degree of hole doping to MoS<sub>2</sub>, resulting in a highly transparent contact region.