magnetic nanoparticles;
Green's function technique;
orbital magnetization;
magnetic anisotropy;
exchange coupling;
D O I:
10.1016/S0304-8853(01)00789-2
中图分类号:
T [工业技术];
学科分类号:
08 ;
摘要:
A Green's function embedding technique based on the fully relativistic spin-polarized Screened Korringa-Kohn-Rostoker method is used to calculate the electronic and magnetic properties of magnetic nanostructures. Strongly enhanced spin and orbital moments are obtained for an Fe adatom and for small clusters of Fe on a Ag(1 0 0) surface. As a consequence, for an Fe adatom a magnetic anisotropy energy is found that is about 10 times larger than for an Fe monolayer. Furthermore, the exchange coupling energy between two Fe adatoms is calculated in terms of the force theorem, showing a very rapid decay with increasing distance. (C) 2002 Elsevier Science B.V. All rights reserved.