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Title: 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. Our own calculations demonstrate that the 1D quantum formula approach yields reliable and accurate results for nonradiative recombination rates.

Authors:
 [1];  [2];  [3];  [1]
  1. Univ. of California, Santa Barbara, CA (United States). Dept. of Materials
  2. Univ. of California, Santa Barbara, CA (United States). Dept. of Physics
  3. Center for Physical Sciences and Technology, Vilnius (Lithuaia)
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) (SC-22)
OSTI Identifier:
1544319
DOE Contract Number:  
SC0010689; AC02-05CH11231
Resource Type:
Journal Article
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

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. doi:10.1103/PhysRevB.97.077301.
Wickramaratne, Darshana, Shen, Jimmy-Xuan, Alkauskas, Audrius, and Van de Walle, Chris G. Thu . "Comment on “Comparative study of ab initio nonradiative recombination rate calculations under different formalisms”". United States. doi:10.1103/PhysRevB.97.077301.
@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. 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},
issn = {2469-9950},
number = 7,
volume = 97,
place = {United States},
year = {2018},
month = {2}
}

Works referenced in this record:

Ab initiomolecular dynamics for liquid metals
journal, January 1993


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996