Abstract

An extended version of Pendry's successful method for calculating photoemission spectra is presented in this paper. The aim is to show that elements with non-cubic crystal structures as well as alloys and compounds can be studied. The method relies on the possibility of describing the crystal as a stack of (non-identical) layers, each layer consisting up to two (different) atoms per unit cell. A number of systems can be modelled in this way, and some examples will be given: Mg(001) — a hexagonal closed packed crystal — and the (001) and (011) surfaces of ordered CuZn (β-brass).

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