An Application of the Car-Parrinello Method to a Study of Alkali-Metal Adsorbed Si(001) Surface

  • Y. Morikawa
  • K. Kobayashi
  • K. Terakura
Conference paper
Part of the Springer Proceedings in Physics book series (SPPHY, volume 70)

Abstract

The Car-Parrinello method with a slight modification was applied to a study of alkali-metal (Na and K) adsorbed Si(001) surface. The nature of bond between adatoms and the substrate and the coverage dependence of adsorption energy are discussed.

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Copyright information

© Springer-Verlag Berlin Heidelberg 1992

Authors and Affiliations

  • Y. Morikawa
    • 1
  • K. Kobayashi
    • 2
  • K. Terakura
    • 1
  1. 1.Institute for Solid State PhysicsUniversity of TokyoMinato-ku, Tokyo 106Japan
  2. 2.National Institute for Research in Inorganic MaterialsTsukuba-shi, Ibaraki 305Japan

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