Strain and Layer Modulations of Optical Absorbance and Complex Photoconductivity of Two-Dimensional InSe: A Study Based on GW0+BSE Calculations

Since the definitions of the two-dimensional (2D) optical absorption coefficient and photoconductivity are independent of the thickness of 2D materials, they are more suitable than the dielectric function to describe the optical properties of 2D materials. Based on the many-body GW method and the Be...

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Main Authors: Chuanghua Yang, Yuan Jiang, Wendeng Huang, Feng Pan
Format: Article
Language:English
Published: MDPI AG 2025-07-01
Series:Crystals
Subjects:
Online Access:https://www.mdpi.com/2073-4352/15/7/666
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author Chuanghua Yang
Yuan Jiang
Wendeng Huang
Feng Pan
author_facet Chuanghua Yang
Yuan Jiang
Wendeng Huang
Feng Pan
author_sort Chuanghua Yang
collection DOAJ
description Since the definitions of the two-dimensional (2D) optical absorption coefficient and photoconductivity are independent of the thickness of 2D materials, they are more suitable than the dielectric function to describe the optical properties of 2D materials. Based on the many-body GW method and the Bethe–Salpeter equation, we calculated the quasiparticle electronic structure, optical absorbance, and complex photoconductivity of 2D InSe from a single layer (1L) to three layers (3L). The calculation results show that the energy difference between the direct and indirect band gaps in 1L, 2L, and 3L InSe is so small that strain can readily tune its electronic structure. The 2D optical absorbance results calculated taking into account exciton effects show that light absorption increases rapidly near the band gap. Strain modulation of 1L InSe shows that it transforms from an indirect bandgap semiconductor to a direct bandgap semiconductor in the biaxial compressive strain range of −1.66 to −3.60%. The biaxial compressive strain causes a slight blueshift in the energy positions of the first and second absorption peaks in monolayer InSe while inducing a measurable redshift in the energy positions of the third and fourth absorption peaks.
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series Crystals
spelling doaj-art-d2ee10c8b9c3416d8f67d2e84dad885a2025-08-20T03:58:26ZengMDPI AGCrystals2073-43522025-07-0115766610.3390/cryst15070666Strain and Layer Modulations of Optical Absorbance and Complex Photoconductivity of Two-Dimensional InSe: A Study Based on GW0+BSE CalculationsChuanghua Yang0Yuan Jiang1Wendeng Huang2Feng Pan3School of Physics and Telecommunication Engineering, Shaanxi University of Technology, Hanzhong 723001, ChinaSchool of Physics and Telecommunication Engineering, Shaanxi University of Technology, Hanzhong 723001, ChinaSchool of Physics and Telecommunication Engineering, Shaanxi University of Technology, Hanzhong 723001, ChinaSchool of Physics and Telecommunication Engineering, Shaanxi University of Technology, Hanzhong 723001, ChinaSince the definitions of the two-dimensional (2D) optical absorption coefficient and photoconductivity are independent of the thickness of 2D materials, they are more suitable than the dielectric function to describe the optical properties of 2D materials. Based on the many-body GW method and the Bethe–Salpeter equation, we calculated the quasiparticle electronic structure, optical absorbance, and complex photoconductivity of 2D InSe from a single layer (1L) to three layers (3L). The calculation results show that the energy difference between the direct and indirect band gaps in 1L, 2L, and 3L InSe is so small that strain can readily tune its electronic structure. The 2D optical absorbance results calculated taking into account exciton effects show that light absorption increases rapidly near the band gap. Strain modulation of 1L InSe shows that it transforms from an indirect bandgap semiconductor to a direct bandgap semiconductor in the biaxial compressive strain range of −1.66 to −3.60%. The biaxial compressive strain causes a slight blueshift in the energy positions of the first and second absorption peaks in monolayer InSe while inducing a measurable redshift in the energy positions of the third and fourth absorption peaks.https://www.mdpi.com/2073-4352/15/7/6662D InSeGW approximationelectronic structure2D optical absorbance2D complex photoconductivityStrain modulation
spellingShingle Chuanghua Yang
Yuan Jiang
Wendeng Huang
Feng Pan
Strain and Layer Modulations of Optical Absorbance and Complex Photoconductivity of Two-Dimensional InSe: A Study Based on GW0+BSE Calculations
Crystals
2D InSe
GW approximation
electronic structure
2D optical absorbance
2D complex photoconductivity
Strain modulation
title Strain and Layer Modulations of Optical Absorbance and Complex Photoconductivity of Two-Dimensional InSe: A Study Based on GW0+BSE Calculations
title_full Strain and Layer Modulations of Optical Absorbance and Complex Photoconductivity of Two-Dimensional InSe: A Study Based on GW0+BSE Calculations
title_fullStr Strain and Layer Modulations of Optical Absorbance and Complex Photoconductivity of Two-Dimensional InSe: A Study Based on GW0+BSE Calculations
title_full_unstemmed Strain and Layer Modulations of Optical Absorbance and Complex Photoconductivity of Two-Dimensional InSe: A Study Based on GW0+BSE Calculations
title_short Strain and Layer Modulations of Optical Absorbance and Complex Photoconductivity of Two-Dimensional InSe: A Study Based on GW0+BSE Calculations
title_sort strain and layer modulations of optical absorbance and complex photoconductivity of two dimensional inse a study based on gw0 bse calculations
topic 2D InSe
GW approximation
electronic structure
2D optical absorbance
2D complex photoconductivity
Strain modulation
url https://www.mdpi.com/2073-4352/15/7/666
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AT yuanjiang strainandlayermodulationsofopticalabsorbanceandcomplexphotoconductivityoftwodimensionalinseastudybasedongw0bsecalculations
AT wendenghuang strainandlayermodulationsofopticalabsorbanceandcomplexphotoconductivityoftwodimensionalinseastudybasedongw0bsecalculations
AT fengpan strainandlayermodulationsofopticalabsorbanceandcomplexphotoconductivityoftwodimensionalinseastudybasedongw0bsecalculations