Comment on “Comparative study of ab initio nonradiative recombination rate calculations under different formalisms”
Abstract
In a recent article [Phys. Rev. B 91, 205315 (2015)] Shi, Xu, and Wang presented a comparison of several formalisms to calculate nonradiative recombination rates and concluded the “one-dimensional (1D) quantum formula” that was used by Alkauskas et al. [Phys. Rev. B 90, 075202 (2014)] is insufficient to accurately describe nonradiative capture rates. Our analysis of the results of Shi, Xu, and Wang indicates that their conclusions about the 1D quantum formula are unfounded and stem from an error in their calculations. Further, our own calculations demonstrate that the 1D quantum formula approach yields reliable and accurate results for nonradiative recombination rates.
- Authors:
-
- Univ. of California, Santa Barbara, CA (United States)
- Center for Physical Sciences and Technology, Vilnius (Lithuania)
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1544319
- Alternate Identifier(s):
- OSTI ID: 1422447
- Grant/Contract Number:
- SC0010689; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 97; Journal Issue: 7; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Wickramaratne, Darshana, Shen, Jimmy-Xuan, Alkauskas, Audrius, and Van de Walle, Chris G. Comment on “Comparative study of ab initio nonradiative recombination rate calculations under different formalisms”. United States: N. p., 2018.
Web. doi:10.1103/physrevb.97.077301.
Wickramaratne, Darshana, Shen, Jimmy-Xuan, Alkauskas, Audrius, & Van de Walle, Chris G. Comment on “Comparative study of ab initio nonradiative recombination rate calculations under different formalisms”. United States. https://doi.org/10.1103/physrevb.97.077301
Wickramaratne, Darshana, Shen, Jimmy-Xuan, Alkauskas, Audrius, and Van de Walle, Chris G. Fri .
"Comment on “Comparative study of ab initio nonradiative recombination rate calculations under different formalisms”". United States. https://doi.org/10.1103/physrevb.97.077301. https://www.osti.gov/servlets/purl/1544319.
@article{osti_1544319,
title = {Comment on “Comparative study of ab initio nonradiative recombination rate calculations under different formalisms”},
author = {Wickramaratne, Darshana and Shen, Jimmy-Xuan and Alkauskas, Audrius and Van de Walle, Chris G.},
abstractNote = {In a recent article [Phys. Rev. B 91, 205315 (2015)] Shi, Xu, and Wang presented a comparison of several formalisms to calculate nonradiative recombination rates and concluded the “one-dimensional (1D) quantum formula” that was used by Alkauskas et al. [Phys. Rev. B 90, 075202 (2014)] is insufficient to accurately describe nonradiative capture rates. Our analysis of the results of Shi, Xu, and Wang indicates that their conclusions about the 1D quantum formula are unfounded and stem from an error in their calculations. Further, our own calculations demonstrate that the 1D quantum formula approach yields reliable and accurate results for nonradiative recombination rates.},
doi = {10.1103/physrevb.97.077301},
journal = {Physical Review B},
number = 7,
volume = 97,
place = {United States},
year = {Fri Feb 23 00:00:00 EST 2018},
month = {Fri Feb 23 00:00:00 EST 2018}
}
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Works referenced in this record:
First-principles theory of nonradiative carrier capture via multiphonon emission
journal, August 2014
- Alkauskas, Audrius; Yan, Qimin; Van de Walle, Chris G.
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Comparative study of ab initio nonradiative recombination rate calculations under different formalisms
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Works referencing / citing this record:
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journal, October 2019
- Jia, Yongchao; Poncé, Samuel; Miglio, Anna
- Physical Review B, Vol. 100, Issue 15
Anharmonic Lattice Relaxation during Non-radiative Carrier Capture
text, January 2019
- Kim, Sunghyun; Hood, Samantha N.; Walsh, Aron
- arXiv
Beyond the one-dimensional configuration coordinate model of photoluminescence
text, January 2019
- Jia, Yongchao; Poncé, Samuel; Miglio, Anna
- arXiv