• Login
    View Item 
    •   Home
    • Research
    • Articles
    • View Item
    •   Home
    • Research
    • Articles
    • View Item
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    Browse

    All of KAUSTCommunitiesIssue DateSubmit DateThis CollectionIssue DateSubmit Date

    My Account

    Login

    Quick Links

    Open Access PolicyORCID LibguidePlumX LibguideSubmit an Item

    Statistics

    Display statistics

    Tuning the Electronic Properties of Hexagonal Two-Dimensional GaN Monolayers via Doping for Enhanced Optoelectronic Applications

    • CSV
    • RefMan
    • EndNote
    • BibTex
    • RefWorks
    Thumbnail
    Name:
    acsanm.8b01852.pdf
    Size:
    6.315Mb
    Format:
    PDF
    Description:
    Accepted Manuscript
    Download
    Type
    Article
    Authors
    Alaal, Naresh
    Roqan, Iman S. cc
    KAUST Department
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Semiconductor and Material Spectroscopy (SMS) Laboratory
    Date
    2018-12-21
    Online Publication Date
    2018-12-21
    Print Publication Date
    2019-01-25
    Permanent link to this record
    http://hdl.handle.net/10754/631223
    
    Metadata
    Show full item record
    Abstract
    We explore structural, electronic, and magnetic properties of two-dimensional (2D) gallium nitride (GaN) monolayer (ML) doped with different elements belonging to the groups III–VI, using density functional theory (DFT) with the Perdew–Burke–Ernzerhof (PBE) functional and the screened hybrid functional (HSE06) approaches as well as molecular dynamics (MD) simulations. Dopant interactions in Ga- and N-rich environments are investigated by varying their concentrations from 1.38 to 5.5%. Our calculations reveal that oxygen and aluminum impurities are the most preferred candidates under Ga- and N-rich conditions, respectively. The electronic structure studies indicate that dopants containing an even number of valence electrons introduce magnetic behavior with spin-polarized properties, or n-type conductivity with nonmagnetic features, depending on the stoichiometric III/V ratio during growth. Dopants with an odd number of valence electrons modify the GaN ML band structure from indirect to direct bandgap at the Γ point, depending on dopant types at different III/V ratios as well as substitutional site. The calculated charge transfer explains the dopants’ influence on the band structure and bond nature. The HSE calculations of doped g-GaN MLs show a 0.23–1.48 eV increase in the band gaps including the spin-polarized band structures when compared with their PBE values. MD calculations suggest high structural stability at high growth temperatures. Such dopant-induced modifications in structural and physical properties of 2D GaN ML could potentially allow use of this material in diverse electronic, optoelectronic, and spintronic applications.
    Citation
    Alaal N, Roqan IS (2018) Tuning the Electronic Properties of Hexagonal Two-Dimensional GaN Monolayers via Doping for Enhanced Optoelectronic Applications. ACS Applied Nano Materials 2: 202–213. Available: http://dx.doi.org/10.1021/acsanm.8b01852.
    Sponsors
    N.A. and I.R. acknowledge the computing support provided by Shaheen II at the King Abdullah University of Science and Technology (KAUST). Authors thanks KAUST for the finance support.
    Publisher
    American Chemical Society (ACS)
    Journal
    ACS Applied Nano Materials
    DOI
    10.1021/acsanm.8b01852
    Additional Links
    https://pubs.acs.org/doi/10.1021/acsanm.8b01852
    ae974a485f413a2113503eed53cd6c53
    10.1021/acsanm.8b01852
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Material Science and Engineering Program

    entitlement

     
    DSpace software copyright © 2002-2021  DuraSpace
    Quick Guide | Contact Us | Send Feedback
    Open Repository is a service hosted by 
    Atmire NV
     

    Export search results

    The export option will allow you to export the current search results of the entered query to a file. Different formats are available for download. To export the items, click on the button corresponding with the preferred download format.

    By default, clicking on the export buttons will result in a download of the allowed maximum amount of items. For anonymous users the allowed maximum amount is 50 search results.

    To select a subset of the search results, click "Selective Export" button and make a selection of the items you want to export. The amount of items that can be exported at once is similarly restricted as the full export.

    After making a selection, click one of the export format buttons. The amount of items that will be exported is indicated in the bubble next to export format.