Dresden 2003 – wissenschaftliches Programm
MA 27.2: Vortrag
Donnerstag, 27. März 2003, 15:30–15:45, HSZ/405
Ab initio study of electronic and magnetic structure of fcc Fe grown on Cu(100) substrate — •Bogdan Yavorsky and Ingrid Mertig — Fachbereich Physik, Fachgruppe Theoretische Physik, MLU Halle-Wittenberg, D-06099 Halle
Thin films of fcc Fe stabilized by epitaxial growth on a Cu(100) substrate have been a subject of great interest for both experimentalists and theoreticians. The question of magnetic ground state of fcc Fe, however, is still open. In the recent experimental study (D.Qian et al. Phys.Rev.Lett 87, 227204, (2001)) a non-collinear magnetic order in Cu(100)/Fe is discussed.
We present results of ab initio electronic structure calculations for the 6Fe/8Cu/6Fe slab made by means of a TB-KKR method modified for non-collinear magnets. Self-consistent potentials were used for the calculations of the densities of states and the total energies for different magnetic configurations of the Fe film.