Importance of nonuniform Brillouin zone sampling for ab initio Bethe-Salpeter equation calculations of exciton binding energies in crystalline solids

Excitons are prevalent in semiconductors and insulators, and their binding energies are critical for optoelectronic applications. The state-of-the-art method for first-principles calculations of excitons in extended systems is the ab initio GW-Bethe-Salpeter equation (BSE) approach, which can requir...

Full description

Bibliographic Details
Main Authors: Alvertis, AM, Champagne, A, Del Ben, M, Da Jornada, FH, Qiu, DY, Filip, MR, Neaton, JB
Format: Journal article
Language:English
Published: American Physical Society 2023