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arXiv · 2509.12588

Over One Order of Magnitude Enhancement in Hole Mobility of 2D III-V Semiconductors through Valence Band Edge Shift

Jianshi Sun·Shouhang Li·Cheng Shao·Zhen Tong·Meng An·Yue Hu·Xiongfei Zhu·Thomas Frauenheim·Xiangjun Liu
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Abstract

Two-dimensional (2D) semiconductors show great potential to sustain Moore's law in the era of ultra-scaled electronics. However, their scalable applications are severely constrained by low hole mobility. In this work, we take 2D-GaAs as a prototype of III-V semiconductors to investigate the effects of quantum anharmonicity (QA) on hole transport, employing the stochastic self-consistent harmonic approximation assisted by the machine learning potential. It is found that the room-temperature hole mobility of 2D-GaAs is reduced by $\sim$44% as the QA effects are incorporated, which is attributed to the enhanced electron-phonon scattering from the out-of-plane acoustic polarization. The valence band edge shift (VBES) strategy is proposed to increase the hole mobility by $\sim$1600% at room temperature, which can be realized by 1% biaxial compressive strain. The electron-phonon scattering rate is dramatically decreased due to the full filtering of the original interband electron-phonon scattering channels that existed in the flat hole pocket. The VBES strategy can be further extended to other 2D III-V semiconductors to promote their hole mobilities.

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Jianshi Sun, Shouhang Li, Cheng Shao, Zhen Tong, Meng An, Yue Hu, Xiongfei Zhu, Thomas Frauenheim, Xiangjun Liu. 2025-09-16. Over One Order of Magnitude Enhancement in Hole Mobility of 2D III-V Semiconductors through Valence Band Edge Shift. https://arxiv.org/abs/2509.12588

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