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Precise radiative lifetimes in bulk crystals from first principles: the case of wurtzite gallium nitride

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.

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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.

Item Type:Article
Related URLs:
URLURL TypeDescription Paper
Jhalani, Vatsal A.0000-0003-0866-0858
Chen, Hsiao-Yi0000-0003-1962-5767
Palummo, Maurizia0000-0002-3097-8523
Bernardi, Marco0000-0001-7289-9666
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
Funding AgencyGrant Number
Resnick Sustainability InstituteUNSPECIFIED
Department of Energy (DOE)DE-SC0019166
Department of Energy (DOE)DE-AC02-05CH11231
Issue or Number:8
Record Number:CaltechAUTHORS:20191025-161427443
Persistent URL:
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
Deposited By: Tony Diaz
Deposited On:25 Oct 2019 23:17
Last Modified:12 Jul 2022 16:41

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