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Schottky-Mott limit in graphene inserted 2D semiconductor-metal interfaces

Mitra, S and Mahapatra, S (2022) Schottky-Mott limit in graphene inserted 2D semiconductor-metal interfaces. In: Journal of Applied Physics, 132 (14).

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Official URL: https://doi.org/10.1063/5.0106620


The insertion of a graphene (or h-BN) layer in a two-dimensional (2D) MoS2-metal interface to de-pin the Fermi level has been a common strategy in experiments. Recently, however, the 2D material space has expanded much beyond transition metal dichalcogenides, and it is not clear if the same strategy will work for other materials. Here, we select a family of twelve emerging, commercially available 2D semiconductors with the work function range of 3.8-6.1 eV and study their interfaces with metals in the presence and absence of the graphene buffer layer. Using the density functional theory, we show that the graphene buffer layer preserves the ideal Schottky-Mott rule to a great extent when the interfaces are made with Ag and Ti. However, the h-BN buffer layer does not yield a similar performance since its electrons are not as localized as graphene. It is further observed that even graphene is not very effective in preserving the ideal Schottky-Mott rule while interfacing with high work function metals (Au, Pd, and Pt). The quantum chemical insights presented in this paper could aid in the design of high-performance electronic devices with low contact resistance based on newly developed 2D materials.

Item Type: Journal Article
Publication: Journal of Applied Physics
Publisher: American Institute of Physics Inc.
Additional Information: The copyright for this article belongs to American Institute of Physics Inc.
Keywords: Boron nitride; Buffer layers; Density functional theory; Layered semiconductors; Molybdenum compounds; Transition metals; Work function, Common strategy; Density-functional-theory; Dichalcogenides; Material space; Metal interface; Performance; Schottky-mott limits; Schottky-Mott rules; Semiconductor-metal interfaces; Two-dimensional, Graphene
Department/Centre: Division of Electrical Sciences > Electronic Systems Engineering (Formerly Centre for Electronic Design & Technology)
Date Deposited: 07 Nov 2022 09:40
Last Modified: 07 Nov 2022 09:40
URI: https://eprints.iisc.ac.in/id/eprint/77761

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