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arXiv · 2105.14302

Comment on "Ab initio calculation of the shift photocurrent by Wannier interpolation"

Jae-Mo Lihm
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Abstract

In a recent paper, Ibañez-Azpiroz et al. [Phys. Rev. B 97, 245143 (2018)] derive a band-truncation-error-free formula for calculating the generalized derivative of the interband dipole matrix using Wannier interpolation. In practice, the denominators involving intermediate states are regularized by introducing a finite broadening parameter. In this Comment, I show that when a finite broadening parameter is used, a correction term must be added to the generalized derivative to obtain results that are independent of the phase convention for the Bloch sums.

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Jae-Mo Lihm. 2021-05-29. Comment on "Ab initio calculation of the shift photocurrent by Wannier interpolation". https://doi.org/10.1103/physrevb.103.247101

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