The DOI matches its Crossref record; 16 of the 16 references it cites were found in a registry or an index.
First-Principles Calculations of Luminescence Spectrum Line Shapes for Defects in Semiconductors: The Example of GaN and ZnO
Open accessAbstract
We present a theoretical study of the broadening of defect luminescence bands due to vibronic coupling. Numerical proof is provided for the commonly used assumption that a multidimensional vibrational problem can be mapped onto an effective one-dimensional configuration coordinate diagram. Our approach is implemented based on density functional theory with a hybrid functional, resulting in luminescence line shapes for important defects in GaN and ZnO that show unprecedented agreement with experiment. We find clear trends concerning effective parameters that characterize luminescence bands of donor- and acceptor-type defects, thus facilitating their identification.
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Cites
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A comprehensive review of ZnO materials and devices
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First-principles calculations for defects and impurities: Applications to III-nitrides
Van de Walle, C. G., & Neugebauer, J. (2004) · Journal of Applied Physics · doi:10.1063/1.1682673 · Cited by 3,257
Self-citationLuminescence properties of defects in GaN
Reshchikov, M. A., & Morkoç, H. (2005) · Journal of Applied Physics · doi:10.1063/1.1868059 · Cited by 1,956
Theory of light absorption and non-radiative transitions in F -centres
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Cited by
Alkauskas, A., Buckley, B. B., Awschalom, D. D., & Van de Walle, C. G. (2014) · New Journal of Physics · doi:10.1088/1367-2630/16/7/073026 · Cited by 334
Self-citationBassett, L. C., Alkauskas, A., Exarhos, A. L., & Fu, K. C. (2018) · Nanophotonics · doi:10.1515/nanoph-2019-0211 · Cited by 112
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Metadata
- Authors
- Alkauskas, A., Lyons, J. L., Steiauf, D., & Van de Walle, C. G.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2012-12-28
- Volume
- 109
- Issue
- 26
- Pages
- 267401-267401
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W1969683665
- Cited by
- 277
- References
- 16
- FWCI
- 6.30
- Type
- journal article
- Language
- en
- Open access
- green
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- Alkauskas, A., Lyons, J. L., Steiauf, D., & Van de Walle, C. G. (2012). First-Principles Calculations of Luminescence Spectrum Line Shapes for Defects in Semiconductors: The Example of GaN and ZnO. Physical Review Letters. https://doi.org/10.1103/physrevlett.109.267401
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
