activity
20232026
most citedAb initio self-trapped excitons

24 citations · 36 across the 5 of their papers we have counts for

collaborators

5 papers

cond-mat.mtrl-sci2026

Accelerating dynamic simulations of photoexcited materials and their evolution by electron-informed machine learning

Yunzhe Jia, Fankai Xie, Yunfei Bai +3

Nonadiabatic coupled electron-nuclear dynamics upon electronic excitation underpin the microscopic mechanism and rational modulation of diverse photoinduced functional phenomena in…

cond-mat.str-el2025★ 1 cited

Quasi-steady electron-excitonic complexes coupling in a two-dimensional semiconductor

Shangkun Mo, Hao Zhong, Keming Zhao +10

Excitons and their complexes govern optical-related behaviors in semiconductors. Here, using angle-resolved photoemission spectroscopy (ARPES), we have elucidated the light-matter…

cond-mat.mtrl-sci2025★ 2 cited

Observation of quasi-steady dark excitons and gap phase in a doped semiconductor

Shangkun Mo, Yunfei Bai, Chunlong Wu +16

Exciton plays an important role in optics and optics-related behaviors and leads to novel correlated phases like charge order, exciton insulator, and exciton-polariton condensation…

cond-mat.mtrl-sci2025★ 9 cited

Intrinsic exciton transport and recombination in single-crystal lead bromide perovskite

Zhixuan Bi, Yunfei Bai, Ying Shi +13

Photogenerated carrier transport and recombination in metal halide perovskites are critical to device performance. Despite considerable efforts, sample quality issues and measureme…

cond-mat.mtrl-sci2023★ 24 cited

Ab initio self-trapped excitons

Yunfei Bai, Yaxian Wang, Sheng Meng

We propose a new formalism and an effective computational framework to study self-trapped excitons (STE) in insulators and semiconductors from first principles. Using the many-body…