journal article·2021-04-01Open access

Impact of dangling bonds on properties of h-BN

Mark E Turiansky, Chris G Van de Walle

2D Materials· Volume 8· Issue 2

Abstract

Abstract Hexagonal boron nitride is a promising host for quantum defects, with several single-photon emitters having been observed. In the visible spectrum, the observed single-photon emitters are notoriously heterogeneous, exhibiting a range of properties. To harness these emitters for quantum applications, identification and characterization of the responsible defects are of paramount importance. Towards this end, we characterize the effects of out-of-plane displacements on boron dangling bonds, which have been suggested as the microscopic origin of the emission. We find that the out-of-plane displacements influence the zero-phonon line energy as well as the coupling to phonons. We compute the radiative lifetime of the emission, which is in agreement with the experimental value.
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Research context

OpenAlex topics: Diamond and Carbon-based Materials Research · Graphene research and applications · 2D Materials and Applications

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