IDEAS home Printed from https://ideas.repec.org/a/wsi/srlxxx/v03y1996i01ns0218625x96001649.html
   My bibliography  Save this article

ELECTRONIC STATES OFC60ANDC70MOLECULES ON Si(111)-(7×7) SURFACE

Author

Listed:
  • T. YAMAGUCHI

    (Faculty of Engineering, Shizuoka University, Hamamatsu 432, Japan)

  • N. FUJIMA

    (Faculty of Engineering, Shizuoka University, Hamamatsu 432, Japan)

Abstract

Electronic states are calculated by the DV-Xα-LCAO method for two model clustersC60Si101H60andC70Si101H60of theC60/Si(111)andC70/Si(111)surfaces where fullerene molecules reside at the center of the unfaulted half of the7×7unit cell. For theC60molecule, occupied (unocupied) orbitals near the Fermi level have high charge density around double bonds between two hexagons (around single bonds on pentagons). For theC70molecule, both occupied and unoccupied orbitals have high charge density around single bonds. The charge density of an individual occupied (unoccupied) orbital has a shape like a trigonal doughnut (clover leaves) over theC60molecule, and it is high in three (four) regions over theC70molecule which is nearlyCs(D2)symmetry. These should be compared with the scanning tunneling microscopy images.

Suggested Citation

  • T. Yamaguchi & N. Fujima, 1996. "ELECTRONIC STATES OFC60ANDC70MOLECULES ON Si(111)-(7×7) SURFACE," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 3(01), pages 915-921.
    • Handle: RePEc:wsi:srlxxx:v:03:y:1996:i:01:n:s0218625x96001649
    DOI: 10.1142/S0218625X96001649
    as

    Download full text from publisher

    File URL: http://www.worldscientific.com/doi/abs/10.1142/S0218625X96001649
    Download Restriction: Access to full text is restricted to subscribers
    File URL: https://libkey.io/10.1142/S0218625X96001649?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

    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:03:y:1996:i:01:n:s0218625x96001649. 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.