View in EDS HTML Full Text PDF Full Text

Effect of bi-directional tensile strain on photoelectric properties of Si-doped of ZrS₂.

Saved in:
Bibliographic Details
Title: Effect of bi-directional tensile strain on photoelectric properties of Si-doped of ZrS₂.
Authors: Shi, Zhihong1 (AUTHOR), Wang, Ying1 (AUTHOR) sygywangying@hotmail.com, Yang, Nan1 (AUTHOR), Ji, Jinghan1 (AUTHOR), Liu, Guili1 (AUTHOR), Zhang, Guoying2 (AUTHOR)
Source: Journal of Nanoparticle Research. May2025, Vol. 27 Issue 5, p1-15. 15p.
Subjects: Electronic band structure, Absorption coefficients, Photoelectric devices, Structural engineering, Density functional theory
Abstract: In this paper, we explore how deformation affects the stability and optoelectronic properties of Si-doped ZrS₂ using first-principles density functional theory. A range of properties—including cohesive energy, energy bands, density of states, absorption coefficients, and reflectivity—were investigated. Structural optimization of the pristine and Si-doped systems was performed using automatic optimization methods. The study reveals that pristine monolayer ZrS₂ is an indirect bandgap material. However, Si doping alters the bandgap, leading to a transition from semiconductor to metallic properties. Moreover, bi-directional tensile and compressive strains significantly modify the electronic and optical properties. Optical analyses indicate that compressive strain significantly increases the absorption coefficient, reflectance, and energy loss of the material in the infrared and visible regions, while tensile strain significantly increases the absorption coefficient, reflectance, and energy loss of the material in the ultraviolet region. These findings offer potential guidance for applying 2D materials in photoelectric devices, sensors, and related fields. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Nanoparticle Research is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
Full text is not displayed to guests.
FullText Links:
  – Type: pdflink
Text:
  Availability: 1
Header DbId: egs
DbLabel: Engineering Source
An: 185595333
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: Effect of bi-directional tensile strain on photoelectric properties of Si-doped of ZrS₂.
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AR" term="%22Shi%2C+Zhihong%22">Shi, Zhihong</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Wang%2C+Ying%22">Wang, Ying</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> sygywangying@hotmail.com</i><br /><searchLink fieldCode="AR" term="%22Yang%2C+Nan%22">Yang, Nan</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Ji%2C+Jinghan%22">Ji, Jinghan</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Liu%2C+Guili%22">Liu, Guili</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Zhang%2C+Guoying%22">Zhang, Guoying</searchLink><relatesTo>2</relatesTo> (AUTHOR)
– Name: TitleSource
  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%22Journal+of+Nanoparticle+Research%22">Journal of Nanoparticle Research</searchLink>. May2025, Vol. 27 Issue 5, p1-15. 15p.
– Name: Subject
  Label: Subjects
  Group: Su
  Data: <searchLink fieldCode="DE" term="%22Electronic+band+structure%22">Electronic band structure</searchLink><br /><searchLink fieldCode="DE" term="%22Absorption+coefficients%22">Absorption coefficients</searchLink><br /><searchLink fieldCode="DE" term="%22Photoelectric+devices%22">Photoelectric devices</searchLink><br /><searchLink fieldCode="DE" term="%22Structural+engineering%22">Structural engineering</searchLink><br /><searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: In this paper, we explore how deformation affects the stability and optoelectronic properties of Si-doped ZrS₂ using first-principles density functional theory. A range of properties—including cohesive energy, energy bands, density of states, absorption coefficients, and reflectivity—were investigated. Structural optimization of the pristine and Si-doped systems was performed using automatic optimization methods. The study reveals that pristine monolayer ZrS₂ is an indirect bandgap material. However, Si doping alters the bandgap, leading to a transition from semiconductor to metallic properties. Moreover, bi-directional tensile and compressive strains significantly modify the electronic and optical properties. Optical analyses indicate that compressive strain significantly increases the absorption coefficient, reflectance, and energy loss of the material in the infrared and visible regions, while tensile strain significantly increases the absorption coefficient, reflectance, and energy loss of the material in the ultraviolet region. These findings offer potential guidance for applying 2D materials in photoelectric devices, sensors, and related fields. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Nanoparticle Research is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=185595333
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1007/s11051-025-06317-y
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 15
        StartPage: 1
    Subjects:
      – SubjectFull: Electronic band structure
        Type: general
      – SubjectFull: Absorption coefficients
        Type: general
      – SubjectFull: Photoelectric devices
        Type: general
      – SubjectFull: Structural engineering
        Type: general
      – SubjectFull: Density functional theory
        Type: general
    Titles:
      – TitleFull: Effect of bi-directional tensile strain on photoelectric properties of Si-doped of ZrS₂.
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Shi, Zhihong
      – PersonEntity:
          Name:
            NameFull: Wang, Ying
      – PersonEntity:
          Name:
            NameFull: Yang, Nan
      – PersonEntity:
          Name:
            NameFull: Ji, Jinghan
      – PersonEntity:
          Name:
            NameFull: Liu, Guili
      – PersonEntity:
          Name:
            NameFull: Zhang, Guoying
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 01
              M: 05
              Text: May2025
              Type: published
              Y: 2025
          Identifiers:
            – Type: issn-print
              Value: 13880764
          Numbering:
            – Type: volume
              Value: 27
            – Type: issue
              Value: 5
          Titles:
            – TitleFull: Journal of Nanoparticle Research
              Type: main
ResultId 1