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p-Type ohmic contact to MoS2via binary compound electrodes
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DOI：10.1039/d2tc05088a.png)
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Abstract
En 中文
Electronic contacts to two-dimensional (2D) semiconductors, e.g., MoS2, of both n- and p-type, are important for complementary metal-oxide-semiconductor logic circuitry. Here, via systematic first-principles density-functional theory calculations, we report that both n- and p-type ohmic contact to MoS2 can be obtained via different surfaces of the same material, the binary compound covellite (CuS). The weak metallicity is helpful to suppress the metal-induced gap states and hence suppress the Fermi-level pinning effect. Importantly, the work functions of different CuS surfaces varies a lot from 3.8 eV to 5.8 eV. The higher work function F(Cu-S) surface forms a p-type contact to MoS2, and the p-type Schottky barrier height (SBH) can be reduced by increasing the layer number of the MoS2. The origin of the p-type SBH reduction can be attributed to quasi-bonding both at the F(Cu-S)/MoS2 interface and between MoS2 layers, which synergistically shifts the valence band edge up. Due to the large work function variation of CuS surfaces and interface quasi-bonding, p-type ohmic contact to monolayer MoS2 can be obtained with the P(S) surface. Additionally, the P(Cu)/monolayer MoS2 junction forms an n-type ohmic contact because of the large work function variation. The widely tunable SBH and contact types of the binary compound CuS/MoS2 junctions make them promising for high-efficiency electronic and optoelectronic devices.
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