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cond-mat.mtrl-sci2026
Theory of ab initio downfolding with arbitrary range electron-phonon coupling
Norm M. Tubman, Christopher J. N. Coveney, Chih-En Hsu +6
Ab initio downfolding describes the electronic structure of materials within a low-energy subspace, often around the Fermi level. Typically starting from mean-field calculations, t…
cond-mat.mtrl-sci2025
Ultrafast Spontaneous Exciton Dissociation via Phonon Emission in BiVO
Stephen E. Gant, Antonios M. Alvertis, Christopher J. N. Coveney +3
Monoclinic bismuth vanadate (m-BiVO) is a promising indirect band gap semiconductor for photoelectrochemical water splitting, yet the characteristics of its low-lying photoexci…
cond-mat.mtrl-sci2024
Rearrangement collision theory of phonon-driven exciton dissociation
Christopher J. N. Coveney, Jonah B. Haber, Antonios M. Alvertis +2
Understanding the processes governing the dissociation of excitons to free charge carriers in semiconductors and insulators is of central importance for photovoltaic applications.…