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Recent technology development of logic devices based on 2-D semiconductors such as MoS2, WS2, and WSe2 has triggered great excitement, paving the way to practical applications. Making low-resistance p-type contacts to 2-D semiconductors remains a critical challenge. The key to addressing this challenge is to find high-work function metallic materials which also introduce minimal metal-induced gap states (MIGSs) at the metal/semiconductor interface. In this work, we perform a systematic computational screening of novel metallic materials and their heterojunctions with monolayer WSe2 based on ab initio density functional theory and quantum device simulations. Two contact strategies, van der Waals (vdW) metallic contact and bulk semimetallic contact, are identified as promising solutions to achieving Schottky-barrier-free and low-contact-resistance p-type contacts for WSe2 p-type field-effect transistor (pFETs). Good candidates of p-type contact materials are found based on our screening criteria, including 1H-NbS2, 1H-TaS2, and 1T-TiS2 in the vdW metal category, as well as Co3Sn2S2 and TaP in the bulk semimetal category. Simulations of these new p-type contact materials suggest reduced MIGS, less Fermi-level pinning effect, negligible Schottky barrier height and small contact resistance (down to 20 Ωμm )
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Multiscale modeling of semimetal contact to two-dimensional transition metal dichalcogenide semiconductor
A multiscale simulation approach is developed to simulate the contact transport properties between semimetal and a monolayer two-dimensional transition metal dichalcogenide (TMDC) semiconductor. The results elucidate the mechanisms for low contact resistance between semimetal and TMDC semiconductor contacts from a quantum transport perspective. The simulation results compare favorably with recent experiments. Furthermore, the results show that the contact resistance of a bismuth-MoS2contact can be further reduced by engineering the dielectric environment and doping the TMDC material to [Formula: see text]. The quantum transport simulation indicates the possibility to achieve an ultrashort contact transfer length of ∼1 nm, which can allow aggressive scaling of the contact size.
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- PAR ID:
- 10369010
- Publisher / Repository:
- American Institute of Physics
- Date Published:
- Journal Name:
- Applied Physics Letters
- Volume:
- 121
- Issue:
- 2
- ISSN:
- 0003-6951
- Page Range / eLocation ID:
- Article No. 023507
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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