Layer parity independent second order nonlinear optics in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mi>Sn</mml:mi> <mml:msub> <mml:mi mathvariant="normal">P</mml:mi> <mml:mn>2</mml:mn> </mml:msub> <mml:mi mathvariant="

Recent experiments highlight second-order nonlinear optics (NLO), including the bulk photovoltaic effect (BPVE) and second-harmonic generation (SHG), in weak interlayer coupling materials, as the photoelectric conversion is enhanced with layer numbers [Nature (London) 613, 53 (2023)]. Here, based on first-principles calculations, we investigate the BPVE and SHG in $\mathrm{Sn}{\mathrm{P}}_{2}\mathrm{S}{\mathrm{e}}_{6}$. The small interlayer coupling energy and minor band-gap variation with layer number indicate its weak interlayer coupling. The BPVE and SHG responses increase with layer number, regardless of the parity of the layer number. Moreover, the interlayer sliding has a negligible influence on the BPVE, which guarantees that the BPVE is robust against structural deformation. The parity-independent, sliding-insensitive BPVE, along with the accumulation effect with layer number of BPVE and SHG in $\mathrm{Sn}{\mathrm{P}}_{2}\mathrm{S}{\mathrm{e}}_{6}$, indicates its potential applications in NLO devices.

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Publication Details

Journal
Physical Review Materials
Published
2025-11-21
DOI
https://doi.org/10.1103/9l29-p2qr
Primary Topic
2D Materials and Applications
Type
article
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article

Layer parity independent second order nonlinear optics in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mi>Sn</mml:mi> <mml:msub> <mml:mi mathvariant="normal">P</mml:mi> <mml:mn>2</mml:mn> </mml:msub> <mml:mi mathvariant="

Wencheng Song, Chunmei Zhang
Physical Review Materials
2D Materials and Applications
article

Layer parity independent second order nonlinear optics in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mi>Sn</mml:mi> <mml:msub> <mml:mi mathvariant="normal">P</mml:mi> <mml:mn>2</mml:mn> </mml:msub> <mml:mi mathvariant="

Wencheng Song, Chunmei Zhang
article en

Abstract

Recent experiments highlight second-order nonlinear optics (NLO), including the bulk photovoltaic effect (BPVE) and second-harmonic generation (SHG), in weak interlayer coupling materials, as the photoelectric conversion is enhanced with layer numbers [Nature (London) 613, 53 (2023)]. Here, based on first-principles calculations, we investigate the BPVE and SHG in $\mathrm{Sn}{\mathrm{P}}_{2}\mathrm{S}{\mathrm{e}}_{6}$. The small interlayer coupling energy and minor band-gap variation with layer number indicate its weak interlayer coupling. The BPVE and SHG responses increase with layer number, regardless of the parity of the layer number. Moreover, the interlayer sliding has a negligible influence on the BPVE, which guarantees that the BPVE is robust against structural deformation. The parity-independent, sliding-insensitive BPVE, along with the accumulation effect with layer number of BPVE and SHG in $\mathrm{Sn}{\mathrm{P}}_{2}\mathrm{S}{\mathrm{e}}_{6}$, indicates its potential applications in NLO devices.

Physical Review MaterialsVol. 9(11)
Northwest University (CN), Institute of Theoretical Physics (CN)
Openalex Percentile: Top 71%
2D Materials and Applications
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