Self-consistent model of hydrogen chemisorption on ferromagnetic transition metals

Abstract
A self-consistent model of hydrogen chemisorption on ferromagnetic 3d metals is presented. It is based on an Anderson-Hubbard Hamiltonian, and the substrate electronic structure is solved by means of the cluster-Bethe-lattice approximation. The magnitude of the magnetic moment at the adatom and at the surface atoms is determined self-consistently. Results are given for the change in the substrate magnetization upon chemisorption and for the chemisorption energy.