2 papers
cond-mat.mtrl-sci2026
Interplay between Electronic Structure, Chemical Bonding, and Lattice Symmetry in Bismuth Vanadate
Philip Schwinghammer, Franziska S. Hegner, Frederico P. Delgado +5
Bismuth vanadate (BiVO) is a prototypical oxide photocatalyst that occurs in both tetragonal and monoclinic scheelite phases with markedly different photocatalytic and photoele…
physics.chem-ph2025
Evaluating First-Principles Electron-Phonon Couplings: Consistency Across Methods and Implementations
Konrad Merkel, Maximilian F. X. Dorfner, Manuel Engel +2
Electron-phonon coupling (EPC) is fundamental for understanding the behavior of molecules and crystals, influencing phenomena such as charge transport, energy transfer, phase trans…