KUKU

KU ScholarWorks

  • myKU
  • Email
  • Enroll & Pay
  • KU Directory
    • Login
    View Item 
    •   KU ScholarWorks
    • Physics & Astronomy
    • Physics & Astronomy Scholarly Works
    • View Item
    •   KU ScholarWorks
    • Physics & Astronomy
    • Physics & Astronomy Scholarly Works
    • View Item
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    First-principles study of electron-phonon interactions and transport in anatase TiO2

    Thumbnail
    View/Open
    Kang_2019.pdf (456.9Kb)
    Issue Date
    2019-09-30
    Author
    Kang, Youngho
    Peelaers, Hartwin
    Van de Walle, Chris G.
    Publisher
    American Physical Society
    Type
    Article
    Article Version
    Scholarly/refereed, publisher version
    Rights
    © 2019 American Physical Society.
    Metadata
    Show full item record
    Abstract
    Electron transport in anatase TiO2, which has important applications in oxide electronics and photocatalysis, is still poorly understood. We investigate the electron mobility in anatase TiO2 by performing first-principles calculations of electron and phonon spectra as well as electron-phonon coupling. The formation of large polarons (quasiparticles formed by electrons interacting with phonons in a polar medium) leads to a renormalization of the electronic band structure, which we address using many-body perturbation theory. We correlate the lowering of the mobility of these quasiparticles to the renormalization of band velocities due to the electron-phonon interaction. These results explain why the mobility decreases with increasing temperature, as observed in experiments.
    URI
    http://hdl.handle.net/1808/31463
    DOI
    https://doi.org/10.1103/PhysRevB.100.121113
    Collections
    • Physics & Astronomy Scholarly Works [1713]
    Citation
    Youngho Kang, Hartwin Peelaers, and Chris G. Van de Walle, "First-principles study of electron-phonon interactions and transport in anatase TiO2", Phys. Rev. B 100, 121113(R), DOI: 10.1103/PhysRevB.100.121113

    Items in KU ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.


    We want to hear from you! Please share your stories about how Open Access to this item benefits YOU.


    Contact KU ScholarWorks
    785-864-8983
    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    785-864-8983

    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    Image Credits
     

     

    Browse

    All of KU ScholarWorksCommunities & CollectionsThis Collection

    My Account

    LoginRegister

    Statistics

    View Usage Statistics

    Contact KU ScholarWorks
    785-864-8983
    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    785-864-8983

    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    Image Credits
     

     

    The University of Kansas
      Contact KU ScholarWorks
    Lawrence, KS | Maps
     
    • Academics
    • Admission
    • Alumni
    • Athletics
    • Campuses
    • Giving
    • Jobs

    The University of Kansas prohibits discrimination on the basis of race, color, ethnicity, religion, sex, national origin, age, ancestry, disability, status as a veteran, sexual orientation, marital status, parental status, gender identity, gender expression and genetic information in the University’s programs and activities. The following person has been designated to handle inquiries regarding the non-discrimination policies: Director of the Office of Institutional Opportunity and Access, IOA@ku.edu, 1246 W. Campus Road, Room 153A, Lawrence, KS, 66045, (785)864-6414, 711 TTY.

     Contact KU
    Lawrence, KS | Maps