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

doi:10.1088/1674-1056/ae8441

中国物理B ›› 2026, Vol. 35 ›› Issue (7): 77702-077702.doi: 10.1088/1674-1056/ae8441

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

Huicong Li(李汇聪), Yali Yang(杨亚利)^†, Jiangang He(和建刚)^‡, and Rongming Wang(王荣明)^§

Beijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, the State Key Laboratory for Advanced Metals and Materials, School of Mathematics and Physics, University of Science and Technology Beijing, Beijing 100083, China

收稿日期:2026-05-14 修回日期:2026-06-30 接受日期:2026-06-30 发布日期:2026-07-10
通讯作者: Yali Yang, Jiangang He, Rongming Wang E-mail:ylyang@ustb.edu.cn;jghe2021@ustb.edu.cn;rmwang@ustb.edu.cn
基金资助:
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).

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

Huicong Li(李汇聪), Yali Yang(杨亚利)^†, Jiangang He(和建刚)^‡, and Rongming Wang(王荣明)^§

Beijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, the State Key Laboratory for Advanced Metals and Materials, School of Mathematics and Physics, University of Science and Technology Beijing, Beijing 100083, China

Received:2026-05-14 Revised:2026-06-30 Accepted:2026-06-30 Published:2026-07-10
Contact: Yali Yang, Jiangang He, Rongming Wang E-mail:ylyang@ustb.edu.cn;jghe2021@ustb.edu.cn;rmwang@ustb.edu.cn
Supported by:
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).

1. 2026-077702-SI.pdf(3432KB)

摘要/Abstract

摘要： 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.

关键词: two-dimensional materials, sliding ferroelectricity, second-harmonic generation, optical properties

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.

Key words: two-dimensional materials, sliding ferroelectricity, second-harmonic generation, optical properties

中图分类号: (Ferroelectricity and antiferroelectricity)

77.80.-e

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[J]. 中国物理B, 2026, 35(7): 77702-077702.

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

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

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