Regensburg 2000 – wissenschaftliches Programm
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SYOM: Oberflächenmagnetismus
SYOM 0: Hauptvorträge
SYOM 0.1: Hauptvortrag
Dienstag, 28. März 2000, 09:30–10:00, H10
Ab initio calculation of exchange interactions, spin-wave stiffness, and Curie temperature of Fe, Co, and Ni — •Patrick Bruno1, Marek Pajda1, and Josef Kudrnovský1,2 — 1Max-Planck-Institut für Mikrostrukturphysik, Halle — 2Institute of Physics, Czech Academy of Sciences, Prague, Czech Republic
We have calculated the exchange interactions of Fe, Co, and Ni
from first-principles. The calculations are based upon the
scalar-relativistic spin-polarized Green’s function technique
within a tight-binding linear-muffin-tin-orbital method and
makes use of the force theorem and the of the adiabatic
approximation.
From the exchange interaction parameters, we calculate the
spin-wave stiffness. We show that, due to the oscillatory long
range character of exchange interactions characteristic of
metallic systems, the results obtained previously are unreliable.
We present a method allowing to cure this problem.
The Curie temperature is calculated within (i) the molecular
field approximation, and (ii) within Green’s function method
using the random phase approximation. The results will be
discussed in connexion with experimental data.
Finally, we shall present preliminary results for magnetic
ultrathin films.