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Giant Enhancement of Hole Mobility for 4H-Silicon Carbide through Suppressing Interband Electron-Phonon Scattering.

Jianshi SunShouhang LiZhen TongCheng ShaoMeng AnXiongfei ZhuChuang ZhangXiangchuan ChenRenzong WangYucheng XiongThomas FrauenheimXiangjun Liu
Published in: Nano letters (2024)
4H-silicon carbide (4H-SiC) possesses a high Baliga figure of merit, making it a promising material for power electronics. However, its applications are limited by low hole mobility. Herein, we found that the hole mobility of 4H-SiC is mainly limited by the strong interband electron-phonon scattering using mode-level first-principles calculations. Our research indicates that applying compressive strain can reverse the sign of crystal-field splitting and change the ordering of electron bands close to the valence band maximum. Therefore, the interband electron-phonon scattering is severely suppressed and the electron group velocity is significantly increased. The out-of-plane hole mobility of 4H-SiC can be greatly enhanced by ∼200% with 2% uniaxial compressive strain applied. This work provides new insights into the electron transport mechanisms in semiconductors and suggests a strategy to improve hole mobility that could be applied to other semiconductors with hexagonal crystalline geometries.
Keyphrases
  • solar cells
  • perovskite solar cells
  • electron transfer
  • signaling pathway
  • molecular dynamics
  • molecular dynamics simulations
  • density functional theory
  • room temperature
  • monte carlo