IDEAS home Printed from https://ideas.repec.org/a/spr/eurphb/v86y2013i6p1-510.1140-epjb-e2013-40014-7.html
   My bibliography  Save this article

Vacancy induced magnetism in WO 3

Author

Listed:
  • Gustavo Baldissera
  • Clas Persson

Abstract

The possibility to obtain ferromagnetic (FM) phase from native defects in WO 3 is investigated by theoretically analyzing six different crystalline structures. The local magnetic moment from vacancies is calculated using the projector augmented wave method in combination with the local spin density approximation including a Coulomb correction (LSDA + U) of the W d-states. We find that tungsten vacancies V W can induce a magnetic phase of ~3.5μ B /V W with a local magnetic moment on the oxygen atoms of at most ~1μ B /V W , whereas corresponding oxygen vacancies V O have no impact on the magnetic coupling. Intriguingly, although the six crystalline structures have very comparable bonds, the magnetic moment generated by the cation vacancies is different, showing higher local magnetic moments for WO 3 structures with low crystalline symmetry. The results indicate that WO 3 :V W cannot induce a hole-mediated FM phase, and instead V W in WO 3 induces a local magnetic moment on the unpaired states at surrounding O atoms. Copyright EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2013

Suggested Citation

  • Gustavo Baldissera & Clas Persson, 2013. "Vacancy induced magnetism in WO 3," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 86(6), pages 1-5, June.
    • Handle: RePEc:spr:eurphb:v:86:y:2013:i:6:p:1-5:10.1140/epjb/e2013-40014-7
    DOI: 10.1140/epjb/e2013-40014-7
    as

    Download full text from publisher

    File URL: http://hdl.handle.net/10.1140/epjb/e2013-40014-7
    Download Restriction: Access to full text is restricted to subscribers.
    File URL: https://libkey.io/10.1140/epjb/e2013-40014-7?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

    Keywords

    Solid State and Materials;

    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:86:y:2013:i:6:p:1-5:10.1140/epjb/e2013-40014-7. 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.