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arXiv · 2404.08117

Two-dimensional Semiconductor Computational Carrier Mobility Genome

Chenmu Zhang·Yuanyue Liu
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Abstract

Two-dimensional (2D) crystalline semiconductors hold promise for next-generation electronic devices due to its atomical thickness and consequent properties. Despite years of search, literature-reported 2D semiconductors commonly suffered from low room-temperature charge mobility (< 200 cm2V-1s-1), due to the dimensionality-increased 'density of scattering', undesirable defects during fabrication and/or strong electron-phonon scattering. Therefore, understanding charge scatterings in 2D semiconductors via computational tools and discovering new 2D semiconductors with high mobility (> 1000 cm2V-1s-1) are both desirable. Here we review the accurate ab initio approaches for electron-phonon/defect/boundary scattering developed these years, and the efforts made in high-mobility 2D semiconductor high throughput screening. Starting from these studies, the common genome of high-mobility 2D semiconductor are summarized and discussed, which would contribute to further discovering of high mobility in 2D semiconductors.

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Chenmu Zhang, Yuanyue Liu. 2024-04-11. Two-dimensional Semiconductor Computational Carrier Mobility Genome. https://arxiv.org/abs/2404.08117

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