64 citations · 64 across the 7 of their papers we have counts for
4 papers · 1 filter
Deep-learning Hamiltonian reveals twist-tunable flat bands and nonlinear photocurrents in SrTiO3 moire bilayers
Meiyang Yu, Chen Shen, Ruiwen Xie +3
The extension of moire physics to complex oxides offers new ways to manipulate electronic states, but the large oxide moire supercells make systematic first-principles calculations…
Redox behaviour of Fe impurities in BaTiO based on many-body calculations
Zhiyuan Li, Hamza Zerdoumi, Hao Wang +2
Based on detailed electronic structure and spectroscopy obtained using DFT-based many-body techniques, the redox behavior of Fe impurities in BaTiO is investigated. It is obser…
Physics-informed automated surface reconstructing via low-energy electron diffraction based on Bayesian optimization
Xiankang Tang, Ruiwen Xie, Jan P. Hofmann +1
Low-energy electron diffraction (LEED) is a cornerstone technique for determining surface atomic structures[heldStructureDeterminationLowenergy2025], yet the quantitative analysis…
Origin of the tetragonal-to-hexagonal phase transitions in Fe-doped BaTiO
Zhiyuan Li, Ruiwen Xie, Hongbin Zhang
Based on detailed first-principles calculations, we investigate the tetragonal-to-hexagonal phase transition in Fe-doped BaTiO. Free energy calculations confirm a crossover fro…