IDEAS home Printed from https://ideas.repec.org/a/spr/eurphb/v98y2025i5d10.1140_epjb_s10051-025-00948-9.html
   My bibliography  Save this article

Effect of tensile strain on the optoelectronic properties of defective Te systems MoTe2

Author

Listed:
  • Zhihong Shi

    (Shenyang University of Technology)

  • Ying Wang

    (Shenyang University of Technology)

  • Nan Yang

    (Shenyang University of Technology)

  • Jinghan Ji

    (Shenyang University of Technology)

  • Guili Liu

    (Shenyang University of Technology)

  • Guoying Zhang

    (Shenyang Normal University)

Abstract

In this paper, the modulation of the optoelectronic properties of MoTe2 defective systems by deformation is simulated using first principles. The study documents the bond lengths, defect formation energies, energy band structures, DOS, and various optical properties of the individual systems in both defect states. It is shown that pristine MoTe2 is a direct band-gap semiconductor material and that both biaxial tensile strain and defect measures reduce the bandgap of the system. When 2 Te atoms are defective, and the tensile strain reaches 6%, the bandgap of the system approaches 0, corresponding to quasi-metallic properties. In terms of optical properties, both biaxial tensile strain and defects reduce the absorption and reflection peaks of the system but increase the reflectivity in the infrared region. Regarding optical properties, the defective system shows an overall decrease in absorption coefficient and reflectance in the tensile strain state, but there is some increase in the low-energy region. These findings may positively impact the flexible application of MoTe2 in photovoltaics. Graphical abstract

Suggested Citation

  • Zhihong Shi & Ying Wang & Nan Yang & Jinghan Ji & Guili Liu & Guoying Zhang, 2025. "Effect of tensile strain on the optoelectronic properties of defective Te systems MoTe2," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 98(5), pages 1-11, May.
    • Handle: RePEc:spr:eurphb:v:98:y:2025:i:5:d:10.1140_epjb_s10051-025-00948-9
    DOI: 10.1140/epjb/s10051-025-00948-9
    as

    Download full text from publisher

    File URL: http://link.springer.com/10.1140/epjb/s10051-025-00948-9
    File Function: Abstract
    Download Restriction: Access to the full text of the articles in this series is restricted.
    File URL: https://libkey.io/10.1140/epjb/s10051-025-00948-9?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    More about this item

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:spr:eurphb:v:98:y:2025:i:5:d:10.1140_epjb_s10051-025-00948-9. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.springer.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.