Sharee J. McNab, Richard J. Blaikie
Materials Research Society Symposium - Proceedings
A recent first-principles total-energy calculation predicting a 23% expansion of the first Fe-Fe interlayer spacing in the Fe{001}1×1-O structure has led us to re-examine our 1977 LEED analysis of this structure, which had found a 7.7% expansion of that spacing. The new analysis is based on the same experimental data used in the early analysis, but expanded over an energy range almost twice as large; it tests parameter values reaching to and beyond the values predicted by the total-energy calculation; it takes into account possible multilayer relaxation of the Fe substrate and uses three reliability factors. The results discriminate strongly against the total-energy structure, and confirm and improve the 1977 structure. The interlayer distances are: 0.45 Å for O-Fe, 1.55 Å for the first and 1.47 Å for the second Fe-Fe layer (bulk value 1.43 Å), with an estimated accuracy of ±0.04 Å. © 1987.
Sharee J. McNab, Richard J. Blaikie
Materials Research Society Symposium - Proceedings
R.J. Gambino, N.R. Stemple, et al.
Journal of Physics and Chemistry of Solids
J.V. Harzer, B. Hillebrands, et al.
Journal of Magnetism and Magnetic Materials
Robert W. Keyes
Physical Review B