Sliding ferroelectricity and tunable linear and nonlinear optical properties in bilayer SnP2Se6

doi:10.1088/1674-1056/ae8441

Abstract Layer stacking of van der Waals bilayers provides an effective means of engineering their physical properties. Here, based on first-principles calculations, we systematically investigate the stacking configurations, electronic structure, and linear and nonlinear optical properties of bilayer SnP$_2$Se$_6$. Our results show that the AB and AC stackings are energetically degenerate polar states connected by interlayer sliding, with a low switching barrier and opposite out-of-plane polarizations. Interlayer sliding markedly modifies the electronic structure and optical response, and reverses the orbital character of the lowest conduction-band states, thereby enabling electric-field control of the spatial distribution of photogenerated electrons and the second-harmonic generation (SHG) response. These findings reveal an intrinsic coupling among stacking patterns, ferroelectric polarization, and nonlinear optical activity, and identify bilayer SnP$_2$Se$_6$ as a promising platform for reconfigurable ferroelectric and optoelectronic devices.

Keywords: two-dimensional materials sliding ferroelectricity second-harmonic generation optical properties

Received: 14 May 2026
Revised: 30 June 2026
Accepted manuscript online: 30 June 2026

PACS:

77.80.-e

(Ferroelectricity and antiferroelectricity)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 12034002, 12374024, and 12304115), the Fundamental Research Funds for the Central Universities (Grant No. FRF-TP-24-039A), Interdisciplinary Research Project for Young Teachers of USTB (Fundamental Research Funds for the Central Universities, FRF-IDRY- 23-038), and 2023 Fund for Fostering Young Scholars of the School of Mathematics and Physics, USTB (Grant No. FRFBR-23-01B).

Corresponding Authors: Yali Yang, Jiangang He, Rongming Wang
E-mail: ylyang@ustb.edu.cn;jghe2021@ustb.edu.cn;rmwang@ustb.edu.cn

Cite this article:

Huicong Li(李汇聪), Yali Yang(杨亚利), Jiangang He(和建刚), and Rongming Wang(王荣明) Sliding ferroelectricity and tunable linear and nonlinear optical properties in bilayer SnP₂Se₆ 2026 Chin. Phys. B 35 077702

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Sliding ferroelectricity and tunable linear and nonlinear optical properties in bilayer SnP2Se6

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Sliding ferroelectricity and tunable linear and nonlinear optical properties in bilayer SnP₂Se₆