Electron correlation effects and magnetic ordering at the Gd(0001) surface
Strongly Correlated Electrons
2009-10-31 v2 Materials Science
Abstract
Effects of electron correlation on the electronic structure and magnetic properties of the Gd(0001) surface are investigated using of the full-potential linearized augmented plane wave implementation of correlated band theory ("LDA+U"). The use of LDA+U instead of LDA (local density approximation) total energy calculations produces the correct ferromagnetic ground state for both bulk Gd and the Gd surface. Surface strain relaxation leads to an 90 % enhancement of the interlayer surface-to-bulk effective exchange coupling. Application of a Landau-Ginzburg type theory yields a 30 % enhancement of the Curie temperature at the surface, in very good agreement with the experiment.
Cite
@article{arxiv.cond-mat/9907254,
title = {Electron correlation effects and magnetic ordering at the Gd(0001) surface},
author = {A. B. Shick and W. E. Pickett and C. S. Fadley},
journal= {arXiv preprint arXiv:cond-mat/9907254},
year = {2009}
}
Comments
revised version: minor typos corrected