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

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 نشر من قبل Jae-Mo Lihm
 تاريخ النشر 2021
  مجال البحث فيزياء
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 تأليف Jae-Mo Lihm




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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.



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