3 papers
cond-mat.mes-hall2026
Giant bulk photovoltaic effect driven by interfacial symmetry breaking in MoS2/Ta2NiSe5 heterostructures
Jianwen Ma, Pengliang Leng, Lei Peng +16
Van der Waals (vdW) heterostructures offer a versatile platform for engineering unconventional bulk photovoltaic (BPV) effect through interfacial symmetry breaking. However, the co…
physics.comp-ph2026
Nonadiabatic Molecular Dynamics on Real-time Excited-State Surfaces via Machine Learning Hamiltonians
Changwei Zhang, Yang Zhong, Zhi-Guo Tao +6
Simulating the coupled, nonequilibrium dynamics of electrons and nuclei is a central challenge in chemistry, physics, and materials science, governing phenomena from photocatalysis…
cond-mat.mtrl-sci2026
Symmetry Adapted Analysis of Screw Dislocation: Electronic Structure and Carrier Recombination Mechanisms in GaN
Yuncheng Xie, Haozhe Shi, Menglin Huang +3
As fundamental one-dimensional defects, screw dislocations profoundly reshape the energy landscape and carrier dynamics of crystalline materials. By restoring the exact algebra of…