Nature Research, npj Computational Materials, 1(8), 2022
DOI: 10.1038/s41524-022-00828-1
Full text: Download
AbstractSpontaneous polarization and bulk photovoltaic effect (BPVE) are two concomitant physical properties in ferroelectric materials. The flipping of ferroelectric order usually accompanies the switching of BPVE in all directions because both of them are reversed under the inversion symmetry. In this study, we report the non-synchronous BPVE in two-dimensional (2D) interlayer-sliding ferroelectric materials featuring unswitchable in-plane BPVE (light-induced photocurrent in the xy plane) and switchable out-of-plane BPVE (light-induced polarization along the z-direction). Symmetry analysis within the abstract bilayer crystal model and first-principles calculations validate these BPVE properties. It is because the positive and negative ferroelectric states caused by interlayer sliding are related by mirror symmetry which cannot flip all the BPVE tensor elements. This finding extends the understanding of the relationship between ferroelectricity and BPVE. On one hand, the switchable out-of-plane BPVE can be used to design switchable photoelectric devices. On the other hand, the in-plane BPVE is robust against the ferroelectric flipping, and the unswitchable character is beneficial to construct larger-scale photoelectric devices.