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.
- Received 23 October 2006
DOI:https://doi.org/10.1103/PhysRevB.75.054303
©2007 American Physical Society