Surface electronic wave functions of a semi-infinite muffin-tin lattice. II. Application to Cu (001) and (110)

M. J. G. Lee and N. A. W. Holzwarth
Phys. Rev. B 18, 5365 – Published 15 November 1978
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Abstract

The spherical-wave method for evaluating the electronic wave functions of a semi-infinite muffin-tin lattice is applied to the (001) and (110) surfaces of copper. It is demonstrated to be a feasible calculational procedure capable of yielding detailed information about the electronic wave functions in the vicinity of a metal surface. Since he focus of this paper is on the interpretation of the external current in field emission and photo-induced field emission, consideration is restricted to states which have no transverse momentum. The electronic states are evaluated over an energy range of about 0.5 Ry near the Fermi level using two different models of the surface potential. The one-dimensional density of states is calculated for several layers close to the surface of the crystal, and its approach to bulk behavior is described. A surface resonance and a surface state of Δ1 symmetry are found on the (001) surface, and surface resonances of Σ1 and Σ3 symmetry are found on the (110) surface. The application of these results to the energy dependence of the external current in field emission and photo-induced field emission is discussed.

  • Received 9 June 1977

DOI:https://doi.org/10.1103/PhysRevB.18.5365

©1978 American Physical Society

Authors & Affiliations

M. J. G. Lee and N. A. W. Holzwarth*

  • Department of Physics, University of Toronto, Toronto, Ontario, Canada M5S 1A7

  • *Present address: Dept. of Physics, University of Pennsylvania, Philadelphia, Pa. 19104.

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Vol. 18, Iss. 10 — 15 November 1978

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