Estructura electrónica de superficies: estados de superficie y estados resonantes del calcio

Abstract

In this paper we present a detailed study of the electronic band structure of the (001) and (110) surface of the face centered cubic Ca. For our study we use the tight-binding approach and the surface Green function matching method. We use tigth-binding Hamiltonians in the Slater Koster formalism (SK). First, we use an orthogonal atomic basis of nine \emph{spd} atomic orbitals, for each atom in the unitary cell. For the study of the surfaces we use the surface Green function matching method. We find that our results compare acceptably well with the previous published values, and we make the prediction of new different states not yet reported in the literature.