Self-consistent localized KKR scheme for surfaces and interfaces

L. Szunyogh; B. Újfalussy; P. Weinberger; J. Kollár

doi:10.1103/PhysRevB.49.2721

Self-consistent localized KKR scheme for surfaces and interfaces

L. Szunyogh, B. Újfalussy, P. Weinberger, and J. Kollár

Phys. Rev. B 49, 2721 – Published 15 January 1994

Abstract

A Green’s-function technique is presented that describes the electronic properties of surfaces and interfaces in the framework of multiple-scattering theory as based on localized structure constants. Results of self-consistent calculations are presented for the Cu (111), (110), and (100) surfaces. The obtained surface densities of states and work functions are in good agreement with previous calculations.

Received 9 July 1993

DOI:https://doi.org/10.1103/PhysRevB.49.2721

Authors & Affiliations

L. Szunyogh

Institut für Technische Elektrochemie, Technische Universität Wien, Getreidemarkt 9/158, A-1060 Wien, Austria
Physical Institute, Technical University Budapest, Budafoki út 8, H-1111 Budapest, Hungary

B. Újfalussy

Institut für Technische Elektrochemie, Technische Universität Wien, Getreidemarkt 9/158, A-1060 Wien, Austria
Research Institute for Solid State Physics, Hungarian Academy of Sciences, H-1525 Budapest, P.O. Box 49, Hungary

P. Weinberger