Jhalani, Vatsal A. and Chen, Hsiao-Yi and Palummo, Maurizia and Bernardi, Marco (2020) Precise radiative lifetimes in bulk crystals from first principles: the case of wurtzite gallium nitride. Journal of Physics: Condensed Matter, 32 (8). Art. No. 084001. ISSN 0953-8984. doi:10.1088/1361-648x/ab5563. https://resolver.caltech.edu/CaltechAUTHORS:20191025-161427443
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Abstract
Gallium nitride (GaN) is a key semiconductor for solid-state lighting, but its radiative processes are not fully understood. Here we show a first-principles approach to accurately compute the radiative lifetimes in bulk uniaxial crystals, focusing on wurtzite GaN. Our computed radiative lifetimes are in very good agreement with experiment up to 100 K. We show that taking into account excitons (through the Bethe-Salpeter equation) and spin-orbit coupling to include the exciton fine structure is essential for computing accurate radiative lifetimes. A model for exciton dissociation into free carriers allows us to compute the radiative lifetimes up to room temperature. Our work enables precise radiative lifetime calculations in III-nitrides and other anisotropic solid-state emitters.
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| Alternate Title: | First-Principles Exciton Radiative Lifetimes in Wurtzite GaN, Precise radiative lifetimes in bulk crystals from first principles: The case of wurtzite GaN | ||||||||||
| Additional Information: | © 2019 IOP Publishing Ltd. Received 5 September 2019; Revised 22 October 2019; Accepted 7 November 2019; Accepted Manuscript online 7 November 2019. The authors thank Davide Sangalli for fruitful discussions. V.A.J. thanks the Resnick Sustainability Institute at Caltech for fellowship support. This work was partially supported by the Department of Energy under Grant No. de-sc0019166, which provided for theory and method development, and by the National Science Foundation under Grant No. ACI-1642443, which provided for code development. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. M.P. thanks CINECA for computational resources. | ||||||||||
| Group: | Resnick Sustainability Institute | ||||||||||
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| Issue or Number: | 8 | ||||||||||
| DOI: | 10.1088/1361-648x/ab5563 | ||||||||||
| Record Number: | CaltechAUTHORS:20191025-161427443 | ||||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20191025-161427443 | ||||||||||
| Official Citation: | Vatsal A Jhalani et al 2020 J. Phys.: Condens. Matter 32 084001 | ||||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||||||
| ID Code: | 99475 | ||||||||||
| Collection: | CaltechAUTHORS | ||||||||||
| Deposited By: | Tony Diaz | ||||||||||
| Deposited On: | 25 Oct 2019 23:17 | ||||||||||
| Last Modified: | 12 Jul 2022 16:41 |
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