journal article·2018-02-23Open access

Comment on “Comparative study of ab initio nonradiative recombination rate calculations under different formalisms”

Darshana Wickramaratne, Jimmy-Xuan Shen, Audrius Alkauskas, Chris G. Van de Walle

Physical Review B· Volume 97· Issue 7

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.
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OpenAlex topics: Spectroscopy and Quantum Chemical Studies · Photochemistry and Electron Transfer Studies · Quantum Information and Cryptography

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References (6)

Show source-provided references
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