The LCAO tight-binding method for computing electronic states in insulators and semiconductors has been recently recovered, in the Green's function formalism, for treating localized perturbations in ideal lattices. After a brief review of this method applied to surfaces, we face out the problem of a symmetry transformation turning an infinitely thick slab into a semi-infinite crystal. In this way conceptual and computational simplifications are achieved. We derive a formal expression for the charge density excess produced by a localized perturbation on the surface layer. This quantity is useful for the problem of inelastic scattering of atoms by surface phonons. © 1982 Società Italiana di Fisica.

Benedek, G., & Miglio, L. (1982). Some remarks on the Green's function calculation of electronic states at solid surfaces. NUOVO CIMENTO DELLA SOCIETÀ ITALIANA DI FISICA. D CONDENSED MATTER, ATOMIC, MOLECULAR AND CHEMICAL PHYSICS, BIOPHYSICS, 1D(3), 323-334 [10.1007/BF02450930].

Some remarks on the Green's function calculation of electronic states at solid surfaces

BENEDEK, GIORGIO;MIGLIO, LEONIDA
1982

Abstract

The LCAO tight-binding method for computing electronic states in insulators and semiconductors has been recently recovered, in the Green's function formalism, for treating localized perturbations in ideal lattices. After a brief review of this method applied to surfaces, we face out the problem of a symmetry transformation turning an infinitely thick slab into a semi-infinite crystal. In this way conceptual and computational simplifications are achieved. We derive a formal expression for the charge density excess produced by a localized perturbation on the surface layer. This quantity is useful for the problem of inelastic scattering of atoms by surface phonons. © 1982 Società Italiana di Fisica.
Articolo in rivista - Articolo scientifico
Green function
English
323
334
12
Benedek, G., & Miglio, L. (1982). Some remarks on the Green's function calculation of electronic states at solid surfaces. NUOVO CIMENTO DELLA SOCIETÀ ITALIANA DI FISICA. D CONDENSED MATTER, ATOMIC, MOLECULAR AND CHEMICAL PHYSICS, BIOPHYSICS, 1D(3), 323-334 [10.1007/BF02450930].
Benedek, G; Miglio, L
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/44172
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