Abstract
First-principles calculations show that the photovoltaic effect of the BiFeO3/TiO2 heterostructures in the visible-light region can be improved by applying epitaxial strain and an electric field. The multi-field coupling effect in the interface makes the heterojunction an intriguing candidate towards fabricating the multifunctional photoelectric devices, and the microscopic mechanism involved is attributed to the spin transfer and charge rearrangement between the Fe 3d and O 2p orbitals in the vicinity of the interface.
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