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First-Principles Exciton Radiative Lifetimes in Wurtzite GaN

Jhalani, Vatsal A. and Chen, Hsiao-Yi and Palummo, Maurizia and Bernardi, Marco (2019) First-Principles Exciton Radiative Lifetimes in Wurtzite GaN. . (Unpublished)

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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:Report or Paper (Discussion Paper)
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
Additional Information: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
Record Number:CaltechAUTHORS:20200103-093928953
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:100487
Deposited By: Tony Diaz
Deposited On:08 Jan 2020 17:56
Last Modified:09 Mar 2020 13:18

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