Precise radiative lifetimes in bulk crystals from first principles: the case of wurtzite gallium nitride
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 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.
- Authors:
-
[1];
[2];
[3];
[1]
- California Institute of Technology (CalTech), Pasadena, CA (United States). Dept. of Applied Physics and Materials Science
- California Institute of Technology (CalTech), Pasadena, CA (United States). Dept. of Applied Physics and Materials Science. Dept. of Physics
- Univ. di Roma 'Tor Vergata', Rome (Italy). INFN. Dipartimento di Fisica
- Publication Date:
- Research Org.:
- California Institute of Technology (CalTech), Pasadena, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1803598
- Grant/Contract Number:
- SC0019166; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physics. Condensed Matter
- Additional Journal Information:
- Journal Volume: 32; Journal Issue: 8; Journal ID: ISSN 0953-8984
- Publisher:
- IOP Publishing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Jhalani, Vatsal A., Chen, Hsiao-Yi, Palummo, Maurizia, and Bernardi, Marco. Precise radiative lifetimes in bulk crystals from first principles: the case of wurtzite gallium nitride. United States: N. p., 2019.
Web. doi:10.1088/1361-648x/ab5563.
Jhalani, Vatsal A., Chen, Hsiao-Yi, Palummo, Maurizia, & Bernardi, Marco. Precise radiative lifetimes in bulk crystals from first principles: the case of wurtzite gallium nitride. United States. https://doi.org/10.1088/1361-648x/ab5563
Jhalani, Vatsal A., Chen, Hsiao-Yi, Palummo, Maurizia, and Bernardi, Marco. Fri .
"Precise radiative lifetimes in bulk crystals from first principles: the case of wurtzite gallium nitride". United States. https://doi.org/10.1088/1361-648x/ab5563. https://www.osti.gov/servlets/purl/1803598.
@article{osti_1803598,
title = {Precise radiative lifetimes in bulk crystals from first principles: the case of wurtzite gallium nitride},
author = {Jhalani, Vatsal A. and Chen, Hsiao-Yi and Palummo, Maurizia and Bernardi, Marco},
abstractNote = {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 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.},
doi = {10.1088/1361-648x/ab5563},
journal = {Journal of Physics. Condensed Matter},
number = 8,
volume = 32,
place = {United States},
year = {Fri Nov 22 00:00:00 EST 2019},
month = {Fri Nov 22 00:00:00 EST 2019}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Interlayer Coupling and Gate-Tunable Excitons in Transition Metal Dichalcogenide Heterostructures
journal, November 2017
- Gao, Shiyuan; Yang, Li; Spataru, Catalin D.
- Nano Letters, Vol. 17, Issue 12
The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
journal, May 2018
- van Setten, M. J.; Giantomassi, M.; Bousquet, E.
- Computer Physics Communications, Vol. 226
Prospects for LED lighting
journal, April 2009
- Pimputkar, Siddha; Speck, James S.; DenBaars, Steven P.
- Nature Photonics, Vol. 3, Issue 4
Theory and Ab Initio Calculation of Radiative Lifetime of Excitons in Semiconducting Carbon Nanotubes
journal, December 2005
- Spataru, Catalin D.; Ismail-Beigi, Sohrab; Capaz, Rodrigo B.
- Physical Review Letters, Vol. 95, Issue 24
Exciton Radiative Lifetimes in Two-Dimensional Transition Metal Dichalcogenides
journal, March 2015
- Palummo, Maurizia; Bernardi, Marco; Grossman, Jeffrey C.
- Nano Letters, Vol. 15, Issue 5
First-Principles Analysis of Radiative Recombination in Lead-Halide Perovskites
journal, September 2018
- Zhang, Xie; Shen, Jimmy-Xuan; Wang, Wennie
- ACS Energy Letters, Vol. 3, Issue 10
Exciton lifetimes in GaN and GaInN
journal, August 1995
- Harris, C. I.; Monemar, B.; Amano, H.
- Applied Physics Letters, Vol. 67, Issue 6
Ab Initio Calculations of Exciton Radiative Lifetimes in Bulk Crystals, Nanostructures and Molecules
text, January 2019
- Chen, Hsiao-Yi; Jhalani, Vatsal A.; Palummo, Maurizia
- arXiv
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009
- Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
- Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
Radiative carrier lifetime, momentum matrix element, and hole effective mass in GaN
journal, February 1997
- Im, J. S.; Moritz, A.; Steuber, F.
- Applied Physics Letters, Vol. 70, Issue 5
Many-body perturbation theory calculations using the yambo code
text, January 2019
- Sangalli, D.; Ferretti, A.; Miranda, H.
- arXiv
Temperature dependence of the radiative lifetime in GaN
journal, December 1998
- Brandt, Oliver; Ringling, Jens; Ploog, Klaus H.
- Physical Review B, Vol. 58, Issue 24
Temperature and carrier-density dependence of Auger and radiative recombination in nitride optoelectronic devices
journal, December 2013
- Kioupakis, Emmanouil; Yan, Qimin; Steiauf, Daniel
- New Journal of Physics, Vol. 15, Issue 12
Fundamental optical transitions in GaN
journal, May 1996
- Chen, G. D.; Smith, M.; Lin, J. Y.
- Applied Physics Letters, Vol. 68, Issue 20
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008
- Perdew, John P.; Ruzsinszky, Adrienn; Csonka, Gábor I.
- Physical Review Letters, Vol. 100, Issue 13
Theory and Ab Initio Computation of the Anisotropic Light Emission in Monolayer Transition Metal Dichalcogenides
journal, May 2018
- Chen, Hsiao-Yi; Palummo, Maurizia; Sangalli, Davide
- Nano Letters, Vol. 18, Issue 6
Optimized norm-conserving Vanderbilt pseudopotentials
journal, August 2013
- Hamann, D. R.
- Physical Review B, Vol. 88, Issue 8
Thermodynamics of excitons in semiconductors
journal, March 1982
- Wolfe, James P.
- Physics Today, Vol. 35, Issue 3
Ultrafast Hot Carrier Dynamics in GaN and Its Impact on the Efficiency Droop
journal, July 2017
- Jhalani, Vatsal A.; Zhou, Jin-Jian; Bernardi, Marco
- Nano Letters, Vol. 17, Issue 8
Quasiparticle band structure of AlN and GaN
journal, October 1993
- Rubio, Angel; Corkill, Jennifer L.; Cohen, Marvin L.
- Physical Review B, Vol. 48, Issue 16
Electronic excitations: density-functional versus many-body Green’s-function approaches
journal, June 2002
- Onida, Giovanni; Reining, Lucia; Rubio, Angel
- Reviews of Modern Physics, Vol. 74, Issue 2
Absorption coefficient, energy gap, exciton binding energy, and recombination lifetime of GaN obtained from transmission measurements
journal, November 1997
- Muth, J. F.; Lee, J. H.; Shmagin, I. K.
- Applied Physics Letters, Vol. 71, Issue 18
Quantum optics of dielectric media
journal, January 1991
- Glauber, Roy J.; Lewenstein, M.
- Physical Review A, Vol. 43, Issue 1
Ground State of the Electron Gas by a Stochastic Method
journal, August 1980
- Ceperley, D. M.; Alder, B. J.
- Physical Review Letters, Vol. 45, Issue 7, p. 566-569
Ab initio calculations of exciton radiative lifetimes in bulk crystals, nanostructures, and molecules
journal, August 2019
- Chen, Hsiao-Yi; Jhalani, Vatsal A.; Palummo, Maurizia
- Physical Review B, Vol. 100, Issue 7
Effect of exciton-carrier thermodynamics on the GaAs quantum well photoluminescence
journal, July 1996
- Yoon, H. W.; Wake, D. R.; Wolfe, J. P.
- Physical Review B, Vol. 54, Issue 4
Electron-hole excitations and optical spectra from first principles
journal, August 2000
- Rohlfing, Michael; Louie, Steven G.
- Physical Review B, Vol. 62, Issue 8
yambo: An ab initio tool for excited state calculations
journal, August 2009
- Marini, Andrea; Hogan, Conor; Grüning, Myrta
- Computer Physics Communications, Vol. 180, Issue 8
Ab initio calculations of excitons in GaN
journal, July 2005
- Laskowski, Robert; Christensen, Niels Egede; Santi, Gilles
- Physical Review B, Vol. 72, Issue 3
Optical properties of periodic systems within the current-current response framework: Pitfalls and remedies
journal, April 2017
- Sangalli, Davide; Berger, J. A.; Attaccalite, Claudio
- Physical Review B, Vol. 95, Issue 15