Tailoring Bulk Photovoltaic Effects in Magnetic Sliding Ferroelectric Materials

Nano Lett. 2022 Dec 14;22(23):9297-9305. doi: 10.1021/acs.nanolett.2c02802. Epub 2022 Nov 28.

Abstract

The bulk photovoltaic effect that is intimately associated with crystalline symmetry has been extensively studied in various nonmagnetic materials, especially ferroelectrics with a switchable electric polarization. In order to further engineer the symmetry, one could resort to spin-polarized systems possessing an extra magnetic degree of freedom. Here, we investigate the bulk photovoltaic effect in two-dimensional magnetic sliding ferroelectric (MSFE) systems, illustrated in VSe2, FeCl2, and CrI3 bilayers. The transition metal elements in these systems exhibit intrinsic spin polarization, and the stacking mismatch between the two layers produces a finite out-of-plane electric dipole. Through symmetry analyses and first-principles calculations, we show that photoinduced in-plane bulk photovoltaic current can be effectively tuned by their magnetic order and the out-of-plane dipole moment. The underlying mechanism is elucidated from the quantum metric dipole distribution in the reciprocal space. The ease of the fabrication and manipulation of MSFEs guarantee practical optoelectronic applications.

Keywords: bulk photovoltaic effect; first-principles calculations; k·p model; magnetic sliding ferroelectrics; symmetry constraints.