2 papers
cond-mat.mtrl-sci2023
Peculiar band geometry induced giant shift current in ferroelectric SnTe monolayer
Gan Jin, Lixin He
The bulk photovoltaic effect (BPVE) refers to the phenomenon of generating photocurrent or photovoltage in homogeneous noncentrosymmetric materials under illumination, and the intr…
cond-mat.mtrl-sci2021
Calculation of Berry curvature using nonorthogonal atomic orbitals
Jin Gan, Daye Zheng, Lixin He
We present a derivation of the full formula to calculate the Berry curvature on non-orthogonal numerical atomic orbital (NAO) bases.Because usually, the number of NAOs is larger th…