Giant Bulk Electro-photovoltaic Effect in Hetero-nodal-line Systems (2304.13977v1)

Abstract: Realization of giant and continuously tunable second-order photocurrent is desired for many nonlinear optical (NLO) and optoelectronic applications, which remains to be a great challenge. Here, based on a simple two-band model, we propose a concept of bulk electro-photovoltaic effect, that is, an out-of-plane external electric-field ($E_{ext}$) can continuously tune in-plane shift current along with its sign flip in a hetero-nodal-line (HNL) system. While strong linear optical transition around the nodal-loop may potentially generate giant shift current, an $E_{ext}$ can effectively control the radius of nodal-loop, which can continuously modulate the shift-vector components inside and outside nodal-loop holding opposite signs. This concept has been demonstrated in the HNL HSnN/MoS$_2$ system using first-principles calculations. The HSnN/MoS$_2$ hetero-bilayer not only can produce giant shift current with 1~2 magnitude order larger than other reported systems, but also can realize a giant bulk electro-photovoltaic effect. Our finding opens new routes to create and manipulate giant NLO responses in 2D materials.