Photogalvanic effect induced charge and spin photocurrent in group-V monolayer systems

Abstract

Photogalvanic effect (PGE) occurs in materials with non-centrosymmetric structures when irradiated by linearly or circularly polarized light. Here, using non-equilibrium Green’s function combined with density functional theory (NEGF-DFT), we investigated the linear photogalvanic effect (LPGE) in monolayers of group-V elements (As, Sb, and Bi) by first-principles calculations. First, by designing a two-probe structure based on the group-V elements, we found a giant anisotropy photoresponse of As between the armchair and zigzag directions. Then, we analyzed Sb and Bi’s charge and spin photocurrent characteristics when considering the spin-orbit coupling (SOC) effect. It is found that when the polarization direction of linearly polarized light is parallel or perpendicular to the transport direction (\theta = 0^{\circ } or {90}^{\circ }), the spin up and spin down photoresponse in the armchair direction has the same magnitude and direction, leading to the generation of net charge current. However, in the zigzag direction, the spin up and spin down photoresponse have the same magnitude with opposite directions, leading to the generation of pure spin current. Furthermore, it is understood by analyzing the bulk spin photovoltaic (BSPV) coefficient from the symmetry point of view. Finally, we found that the net charge current generated in the armchair direction and the pure spin current generated in the zigzag direction can be further tuned with the increase of the material’s buckling height |h|. Our results highlight that these group-V monolayers are promising candidates for novel functional materials, which will provide a broad prospect for the realization of ultrathin ferroelectric devices in optoelectronics due to their spontaneous polarization characteristics and high Curie temperature.

Graphical abstract

Keywords

group-V monolayers / photogalvanic effect / pure spin current

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Conflicts of interest

There are no conflicts to declare.

Acknowledgements

We gratefully acknowledge the support from the National Key R&D Program of China under Grant No. 2022YFA1404003, the National Natural Science Foundation of China (Grant Nos. 12074230 and 12174231), the Natural Science Foundation of Shanxi Normal University, the Fund for Shanxi “1331 Project”, and Shanxi Province 100-Plan Talent Program, Fundamental Research Program of Shanxi Province through 202103021222001 and 202203021212397. This research was conducted using the High Performance Computer of Shanxi University.

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