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High-throughput screening of 2D materials identifies *p*-type monolayer WS₂ as potential ultra-high mobility semiconductor

Physics

High-throughput screening of 2D materials identifies *p*-type monolayer WS₂ as potential ultra-high mobility semiconductor

V. Ha and F. Giustino

Discover the groundbreaking research by Viet-Anh Ha and Feliciano Giustino, revealing that monolayer WS₂ could be the next big thing in 2D semiconductors, potentially achieving room-temperature hole mobilities over 1300 cm²/Vs! This study uncovers how intricate calculations can predict mobility by considering factors like spin-orbit coupling and electron-phonon interactions.

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Playback language: English
Abstract
This work explores high-mobility 2D materials using high-throughput screening and ab initio Boltzmann transport equation calculations. Monolayer WS₂ is identified as a promising 2D semiconductor with potential for ultra-high room-temperature hole mobilities exceeding 1300 cm²/Vs, contingent on achieving Ohmic contacts and low defect densities. The study highlights the importance of comprehensive ab initio calculations, including spin-orbital couplings and various electron-phonon interactions, for accurate mobility predictions.
Publisher
npj Computational Materials
Published On
Sep 30, 2024
Authors
Viet-Anh Ha, Feliciano Giustino
Tags
high-mobility 2D materials
monolayer WS₂
semiconductors
Boltzmann transport
hole mobilities
ab initio calculations
electron-phonon interactions

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