IDEAS home Printed from https://ideas.repec.org/a/wsi/ijmpcx/v34y2023i01ns0129183122501704.html
   My bibliography  Save this article

Carrier mobility predicted by born effective charge in Janus transition metal dichalcogenides monolayers

Author

Listed:
  • Jingxin Hu

    (Department of Physics and Key Laboratory for Low-Dimensional Structures and Quantum Manipulation (Ministry of Education), Hunan Normal University, Changsha 410081, P. R. China)

  • Jing Luo

    (Department of Physics and Key Laboratory for Low-Dimensional Structures and Quantum Manipulation (Ministry of Education), Hunan Normal University, Changsha 410081, P. R. China)

  • Ziran Liu

    (Department of Physics and Key Laboratory for Low-Dimensional Structures and Quantum Manipulation (Ministry of Education), Hunan Normal University, Changsha 410081, P. R. China†Key Laboratory for Matter Microstructure and Function of Hunan Province, Hunan Normal University, Changsha 410081, P. R. China)

Abstract

Two-dimensional (2D) Janus transition metal dichalcogenides (TMDs) are a new class of materials with unique electrical properties. The carrier mobility of Janus TMDs calculated by deformation potential theory (DPT) is unreliable because partial lattice scattering is not taken into account. In this work, we propose a new Born Effective Charge (BEC) method to predict the carrier mobility of Janus TMDs by employing density functional perturbation theory, which includes the important factors neglected in DPT. We have figured out the relationship between carrier mobility and BEC value, that is, the lower the absolute BEC value, the higher the carrier mobility of electrons or holes. The carrier mobilities of commonly used defective and defect-free Janus TMDs were calculated by the new method, and the calculated results are in good agreement with the experimental results. This method can be used for high-throughput calculations to select high-carrier mobility 2D materials, and the data provide a practical paradigm for evaluating carrier mobility in 2D TMDs.

Suggested Citation

  • Jingxin Hu & Jing Luo & Ziran Liu, 2023. "Carrier mobility predicted by born effective charge in Janus transition metal dichalcogenides monolayers," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 34(01), pages 1-13, January.
    • Handle: RePEc:wsi:ijmpcx:v:34:y:2023:i:01:n:s0129183122501704
    DOI: 10.1142/S0129183122501704
    as

    Download full text from publisher

    File URL: http://www.worldscientific.com/doi/abs/10.1142/S0129183122501704
    Download Restriction: Access to full text is restricted to subscribers
    File URL: https://libkey.io/10.1142/S0129183122501704?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

    for a different version of it.

    More about this item

    Keywords

    ;
    ;
    ;
    ;

    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:wsi:ijmpcx:v:34:y:2023:i:01:n:s0129183122501704. 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: Tai Tone Lim (email available below). General contact details of provider: http://www.worldscinet.com/ijmpc/ijmpc.shtml .

    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.