Defect-induced exciton localization in bulk gallium nitride from many-body perturbation theory

Lewis, D. Kirk; Sharifzadeh, Sahar

doi:10.1103/PhysRevMaterials.3.114601

Title: Defect-induced exciton localization in bulk gallium nitride from many-body perturbation theory

Journal Article · Thu Nov 21 00:00:00 EST 2019 · Physical Review Materials

DOI:https://doi.org/10.1103/PhysRevMaterials.3.114601· OSTI ID:1603327

Lewis, D. Kirk ^[1];

^[1]

Boston Univ., MA (United States)

We present a many-body perturbation theory study of the excitonic properties of wurtzite GaN containing a single charged nitrogen vacancy. We determine that the lowest-energy exciton consists of a bulk to defect transition, resulting in a slight redshift (<0.1 eV) of the optical absorption onset and a 50 meV increase in the exciton binding energy when compared with pristine bulk. Furthermore, by analysis of the electron-hole correlation function, we quantify the defect-induced localization of the Wannier-Mott exciton in two ways. First, we show that the electron-hole separation is reduced, and that the exciton envelope wave function can be related to a simple model of a defect-bound exciton. Second, we show that the exciton center-of-mass does not display the periodicity of the lattice due to defect-induced localization. We anticipate that our approach, which quantitatively describes the influence of a point defect on the exciton wave function, will be generally applicable.

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Research Organization:: Boston Univ., MA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: SC0018080

OSTI ID:: 1603327

Journal Information:: Physical Review Materials, Vol. 3, Issue 11; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 11 works

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