5 papers
AI-accelerated metallized -bonding screening for superconductor discovery
Zechen Tang, Wen-Han Dong, Baochun Wu +11
The computational discovery of phonon-mediated superconductors is hindered by the prohibitive cost of density functional perturbation theory (DFPT). Here, guided by the metallized…
Ultrafast magnetic moment transfer and bandgap renormalization in monolayer FeCl
Yu-Hui Song, Huan-Cheng Yang, Kai Liu +1
The microscopic origin of laser-induced ultrafast demagnetization remains an open question, to which the non-thermal electronic distribution plays a vital role at the initial stage…
Evolution of ultra-flat band in van der Waals kagome semiconductor Pd3P2(S1-xSex)8
Shaohua Yan, Ben-Chao Gong, Lin Wang +8
We investigate the evolutions of structural parameters, optical properties, and electronic structures of van der Waals kagome semiconductor Pd3P2S8 with Se doping. When the doping…
Origin of insulating-like behavior of BiSrCaCuO under pressure: A first-principles study
Xin Du, Jian-Feng Zhang, Zhong-Yi Lu +1
Recent experimental study on BiSrCaCuO superconductors has revealed an unexpected quantum phase transition from superconducting state to insulatinglike state un…
Tunable surface electron gas and effect of phonons in SrCuO: A first-principles study
Xin Du, Hui-Hui He, Xiao-Xiao Man +2
While the conducting CuO planes in cuprate superconductors have been widely recognized as a crucial component in producing high superconducting , recent experimenta…