Comment on "Ab initio calculation of the shift photocurrent by Wannier interpolation"
Materials Science
2021-06-03 v1
Abstract
In a recent paper, Iba\~nez-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.
Keywords
Cite
@article{arxiv.2105.14302,
title = {Comment on "Ab initio calculation of the shift photocurrent by Wannier interpolation"},
author = {Jae-Mo Lihm},
journal= {arXiv preprint arXiv:2105.14302},
year = {2021}
}