Phonons of (100) and (110) iron surfaces from first-principles calculations

J. Łażewski, J. Korecki, and K. Parlinski
Phys. Rev. B 75, 054303 – Published 6 February 2007

Abstract

Using the density functional theory and the direct method, phonon dispersion relations and phonon density spectra have been calculated for two slabs with Fe(100) and Fe(110) surfaces. A drastic difference between phonon state distributions for both surfaces has been found. The magnetic moments of surface Fe atoms are enhanced by 30% and 14% for (100) and (110) surfaces, respectively.

  • Figure
  • Figure
  • Received 23 October 2006

DOI:https://doi.org/10.1103/PhysRevB.75.054303

©2007 American Physical Society

Authors & Affiliations

J. Łażewski1,*, J. Korecki2,3, and K. Parlinski1

  • 1Institute of Nuclear Physics Polish Academy of Sciences, Radzikowskiego 152, 31-342 Kraków, Poland
  • 2Institute of Catalysis and Surface Chemistry Polish Academy of Sciences, Niezapominajek, 30-239 Kraków, Poland
  • 3Faculty of Physics and Applied Computer Science, University of Science and Technology, Mickiewicza 30, 30-059 Kraków, Poland

  • *Electronic address: jan.lazewski@ifj.edu.pl

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 75, Iss. 5 — 1 February 2007

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×