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An embedding method for interface electronic structure calculations

A new method of determining interface electronic structure is described. Only a few layers on either side of the interface need to be explicitly considered. Each substrate is included via an embedding potential derived from the bulk Green function, which is added to the interface Hamiltonian. The technique allows localised interface states as well as the continuum of bulk states to be studied. Results are presented for the Al-Ni(001) interface, found self-consistently using the linearised augmented plane wave method.