The theoretical determination of the magnetic structure of surfaces within the (local) spin-density formalism is briefly described. The feasibility of using such methods for determining delicate magnetic quantities is illustrated by calculation of (1) the Knight shift of the paramagnetic Pt(001) surface, (2) the magnetization of the clean and Ag-covered Fe(001) surface, and (3) the effect of a p(1×1) H overlayer on the magnetization of a Ni(001) surface. These results demonstrate that it is possible not only to make quantitative predictions for real systems, but more importantly, to gain insight into the underlying physics at surfaces.
ASJC Scopus subject areas
- Physics and Astronomy (miscellaneous)