First-Principles Calculation of the Bulk Photovoltaic Effect in the Polar Compounds LiAsS${}_{\text{2}}$, LiAsSe${}_{\text{2}}$, and NaAsSe${}_{\text{2}}$

John A. Brehm, Steve M. Young, Fan Zheng +1

We calculate the shift current response, which has been identified as the dominant mechanism for the bulk photovoltaic effect, for the polar compounds LiAsS${}_{\text{2}}$, LiAsSe$_\te…