Electronic properties of MoS2 / MoOx interfaces: Implications in Tunnel Field Effect Transistors and Hole Contacts

Santosh, K. C.; Longo, Roberto; Addou, Rafik; Wallace, Robert M.; Cho, Kyeongjae

doi:10.1038/srep33562

Title: Electronic properties of MoS2 / MoOx interfaces: Implications in Tunnel Field Effect Transistors and Hole Contacts

Journal Article · Mon Sep 26 00:00:00 EDT 2016 · Scientific Reports

DOI:https://doi.org/10.1038/srep33562· OSTI ID:1337032

Santosh, K. C. ^[1]; Longo, Roberto ^[2]; Addou, Rafik ^[2]; Wallace, Robert M. ^[2]; Cho, Kyeongjae ^[2]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. of Texas, Dallas, TX (United States)

In an electronic device based on two dimensional (2D) transitional metal dichalcogenides (TMDs), finding a low resistance metal contact is critical in order to achieve the desired performance. However, due to the unusual Fermi level pinning in metal/2D TMD interface, the performance is limited. Here, we investigate the electronic properties of TMDs and transition metal oxide (TMO) interfaces (MoS₂/MoO₃) using density functional theory (DFT). Our results demonstrate that, due to the large work function of MoO₃ and the relative band alignment with MoS₂, together with small energy gap, the MoS₂/MoO₃ interface is a good candidate for a tunnel field effect (TFET)-type device. Moreover, if the interface is not stoichiometric because of the presence of oxygen vacancies in MoO₃, the heterostructure is more suitable for p-type (hole) contacts, exhibiting an Ohmic electrical behavior as experimentally demonstrated for different TMO/TMD interfaces. Our results reveal that the defect state induced by an oxygen vacancy in the MoO3 aligns with the valance band of MoS₂, showing an insignificant impact on the band gap of the TMD. This result highlights the role of oxygen vacancies in oxides on facilitating appropriate contacts at the MoS₂ and MoO_x (x < 3) interface, which consistently explains the available experimental observations.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1337032

Journal Information:: Scientific Reports, Vol. 6; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 34 works

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