Dresden 2020 – scientific programme
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O: Fachverband Oberflächenphysik
O 47: Poster Session - 2D Materials: Electronic Structure, Excitations, etc.
O 47.6: Poster
Tuesday, March 17, 2020, 18:15–20:00, P2/EG
Optoelectronic properties of point defects in hBN — •Alexander Kirchhoff, Thorsten Deilmann, Peter Krüger, and Michael Rohlfing — Westfälische Wilhelms-Universität Münster, 48149 Münster, Germany
While pristine hexagonal boron nitride (hBN) is a wide-gap insulator, its point defects are discussed as light emitters in the visible optical spectrum. In this study, we examine two substitutional carbon impurities, CN and CB, the nitrogen vacancy VN and the divacancy VNB in a hBN monolayer from an ab initio approach, via the GW/BSE approximation. Our results show deep defect states and defect-related excitations with energies in the visible regime. We present a detailed analysis of their spatial structure and energetic composition.