Green's function matching method for realistic calculations of interfaces.

Molinari E., Bachelet G. B., Altarelli M.

Max-Planck-Inst. Festkoerperforsch., Stuttgart , D-7000/80, Fed. Rep. Ger.

A new method for the calcn. of the electronic structure of interfaces is proposed, which avoids the introduction of artificial periodicities. The basic ingredients of the method are (a) the Green's function matching formalism and (b) the self-consistent Green's function approach, as successfully applied to defects in semiconductors. Preliminary results, which indicate the feasibility of the procedure, are presented.

Journal de Physique. Colloques, C 4 321-9, 1985.

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