Publication date: Oct 10, 2024
2D semiconductors are considered as a promising alternative to silicon for future electronics. This class of materials possesses different advantages including atomically sharp surfaces and the ability to scale channel thickness down to a single layer. However, they typically exhibit lower charge carrier mobility as well as higher contact resistance compared to 3D semiconductors, which deters the development of high-performance devices at scale. In this work, we searched for high-mobility 2D materials by combining high-throughput screening approach and advanced transport calculations based on the ab initio Boltzmann transport equation. Based on our calculations, we identified several promising candidates channel materials, and in particular monolayer WS₂ which exhibits a phonon-limited hole mobility in excess of 1300 cm²/Vs. Our work suggests that WS₂ can be ideal for channel of high-performance 2D transistors with Ohmic contacts and low defect density. This work has been published in [npj Comput. Mater. 10, 229 (2024)].
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README.txt
MD5md5:53a7e9259794e16bfb3abfeead2be09e
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707 Bytes | This file contains the description for the compressed file. |
BTE_2D.tar.bz2
MD5md5:74b047ca2c65e96d68aa9eafe2cc6b3b
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11.0 MiB | This file contains all input files for Boltzmann transport equation for 16 selected 2D materials. All calculations are performed via EPW code. |
2024.154 (version v1) [This version] | Oct 10, 2024 | DOI10.24435/materialscloud:aw-d3 |