Year: 2026
Type: preprint
Abstract: We investigate the spin-resolved electronic structure of native vacancies and substitutional defects in monolayer GaS and GaSe using an anisotropic screened-exchange functional developed for two-dimensional material systems. By combining an energy-based classification of defect-associated states with spatially resolved projections and partial charge densities, we examine how these defects modify the in-gap electronic structure and assess their relevance for defect-based single-photon emission. The results identify gallium vacancies, particularly in GaS, as candidates single-photon emitters.
Source: arXiv (Cornell University)
Author: Lorke, Michael
Institution: University of Duisburg-Essen
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7222746473