3 papers
cond-mat.mtrl-sci2026
Exceptionally high carrier mobility in hexagonal diamond
Zirui He, Shang-Peng Gao, Meng Chen
Hexagonal diamond (h-diamond), or Lonsdaleite, is a promising wide-bandgap semiconductor known for its high thermal conductivity and hardness. Based on \textit{ab initio} calculati…
cond-mat.mtrl-sci2026
Hybrid functional calculation of electrical activity and complexing mechanism of Cu-related defects
Xinyu Shi, Zirui He, An-An Sun +5
Copper is a detrimental impurity in silicon with high diffusivity and a high tendency to precipitate. Interaction between Cu and other defects is essential for understanding the na…
cond-mat.mtrl-sci2025
First-principles Prediction of Carrier Mobility in Semiconductor Nanowires Based on the Spatially Dependent Boltzmann Transport Equation
Zirui He, Shang-Peng Gao, Meng Chen
Carrier mobility in bulk semiconductors is typically governed by electron-phonon (e-ph) scattering. In nanostructures, spatial confinement can lead to significant surface scatterin…