IDEAS home Printed from https://ideas.repec.org/a/wsi/srlxxx/v06y1999i01ns0218625x9900007x.html
   My bibliography  Save this article

Molecular-Dynamics Study Of Thin Iron Films On Copper

Author

Listed:
  • K. KADAU

    (Theoretische Tieftemperaturphysik, Gerhard-Mercator-Universität Duisburg, Lotharstraße 1, 47048 Duisburg, Germany)

  • R. MEYER

    (Theoretische Tieftemperaturphysik, Gerhard-Mercator-Universität Duisburg, Lotharstraße 1, 47048 Duisburg, Germany)

  • P. ENTEL

    (Theoretische Tieftemperaturphysik, Gerhard-Mercator-Universität Duisburg, Lotharstraße 1, 47048 Duisburg, Germany)

Abstract

We have studied the structural stability of thin γ-iron films on Cu(001) and Cu(111) substrates using molecular-dynamics simulations in combination with a semiempirical model. Experimentally, the stability of such films has turned out to depend on (growth) temperature and film thickness. On increasing the thickness or decreasing the temperature the films undergo a structural change to the bcc structure, which is well reproduced by our simulations. An analysis of the local atomic environment of the films after the structural transformation shows that, especially on Cu(001), only parts of the film accomplish the transformation into the bcc structure. Considerations of the atomic displacements during the transformation allow us to give an explanation of the different stability of the films on Cu(001) and Cu(111) as well as the observed orientational relationships.

Suggested Citation

  • K. Kadau & R. Meyer & P. Entel, 1999. "Molecular-Dynamics Study Of Thin Iron Films On Copper," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 6(01), pages 35-43.
    • Handle: RePEc:wsi:srlxxx:v:06:y:1999:i:01:n:s0218625x9900007x
    DOI: 10.1142/S0218625X9900007X
    as

    Download full text from publisher

    File URL: http://www.worldscientific.com/doi/abs/10.1142/S0218625X9900007X
    Download Restriction: Access to full text is restricted to subscribers
    File URL: https://libkey.io/10.1142/S0218625X9900007X?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

    ; 68.55.-a; 68.35.Rh; 61.43Bn;
    All these 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:srlxxx:v:06:y:1999:i:01:n:s0218625x9900007x. 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/srl/srl.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.