Ab Initio Modeling of Segregation of Iron Atoms on the (111) Nickel Surface

Authors

  • German Platonovich Viatkin Author
  • Sergey Ivanovich Morozov Author

Abstract

The paper is devoted to computer modeling of surface alloys Ni-based ab initio methods. Obtained surface model alloys Ni (111), calculated their physical properties: relaxation, surface energy, work function. Effect of location of the Fe atoms on these characteristics is studied.

Author Biographies

  • German Platonovich Viatkin
    Corresponding Member of Russian Academy Science, Dr. Sc. (Chemistry), Professor, General and Theoretical Physics Department
  • Sergey Ivanovich Morozov
    Cand. Sc. (Physics and Mathematics), Associate Professor, General and Theoretical Physics Department

Published

2015-03-23

Issue

Vol. 7 No. 2 (2015)

Section

Physics