Ferroelectric control of band alignments and magnetic properties in the two-dimensional multiferroic VSe2/In2Se3

Chen Hu; Ju Chen; Erwei Du; Weiwei Ju; Yipeng An; Shi-Jing Gong

doi:10.1088/1361-648X/ac8406

Ferroelectric control of band alignments and magnetic properties in the two-dimensional multiferroic VSe₂/In₂Se₃

J Phys Condens Matter. 2022 Aug 17;34(42). doi: 10.1088/1361-648X/ac8406.

Authors

Chen Hu¹, Ju Chen¹, Erwei Du¹, Weiwei Ju², Yipeng An³, Shi-Jing Gong^{1

4}

Affiliations

¹ School of Physics and Electronic Science, East China Normal University, Shanghai, 200241, People's Republic of China.
² College of Physics and Engineering and Henan Key Laboratory of Photoelectric Energy Storage Materials and Applications, Henan University of Science and Technology, Luoyang 471023, People's Republic of China.
³ School of Physics and Henan Key Laboratory of Boron Chemistry and Advanced Energy Materials, Henan Normal University, Xinxiang 453007, People's Republic of China.
⁴ Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan, Shanxi 030006, People's Republic of China.

PMID: 35878601
DOI: 10.1088/1361-648X/ac8406

Abstract

Our first-principles evidence shows that the two-dimensional (2D) multiferroic VSe₂/In₂Se₃experiences continuous change of electronic structures, i.e. with the change of the ferroelectric (FE) polarization of In₂Se₃, the heterostructure can possess type-I, -II, and -III band alignments. When the FE polarization points from In₂Se₃to VSe₂, the heterostructure has a type-III band alignment, and the charge transfer from In₂Se₃into VSe₂induces half-metallicity. With reversal of the FE polarization, the heterostructure enters the type-I band alignment, and the spin-polarized current is turned off. When the In₂Se₃is depolarized, the heterostructure has a type-II band alignment. In addition, influence of the FE polarization on magnetism and magnetic anisotropy energy of VSe₂was also analyzed, through which we reveal the interfacial magnetoelectric coupling effects. Our investigation about VSe₂/In₂Se₃predicts its wide applications in the fields of both 2D spintronics and multiferroics.

Keywords: VSe2; band alignment; heterostructure; multiferroic; two dimensional.