A new method for the calculation 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, put forward by Garcia-Moliner et al. ; 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.
GREEN'S FUNCTION MATCHING METHOD FOR REALISTIC CALCULATIONS OF INTERFACES / Molinari, Elisa; G. B., Bachelet; M., Altarelli. - In: JOURNAL DE PHYSIQUE. - ISSN 0302-0738. - STAMPA. - 46:(1985), pp. 321-329. [10.1051/jphyscol:1985435]
GREEN'S FUNCTION MATCHING METHOD FOR REALISTIC CALCULATIONS OF INTERFACES
MOLINARI, Elisa;
1985
Abstract
A new method for the calculation 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, put forward by Garcia-Moliner et al. ; 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.
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