Landolt-Börnstein - Group III Condensed Matter

Figs. 88 - 115, Table 30


This chapter discusses self-consistent electronic structure of group IB (noble metals): bulk copper (Cu), and 3- and 5-layer Cu films. Good size convergence of the film potential permits the construction of a self-consistent potential for an 11-layer Cu(111) film, whose spectral properties are studied. Calculated projected charge (in electrons per atom) onto basis functions of s, p, and d symmetry in each plane, together with the total planar-projected charge and the integrated-planar charge is tabulated. This chapter also contains some illustration for Cu: (i) composite two-dimensional energy bands, (ii) projected densities of electronic states, (iii) contours of constant charge density, (iv) experimental and theoretical variation of FWHM, (v) first observation of Shockley-type SS at the L-gap, (vi), surface-state energies, (vii) normal-emission angle-resolved photoemission distribution, (viii) photoemission intensity, (ix) energy dispersion, (x) intensity of the sp zone-center surface state, (xi) final state energy, (xii) binding energy parameter. The parabolic dispersions exhibited by both states (solid curves) yield binding energies and effective masses. Surface-state energies have been calculated for the copper (111) face in the energy region close to the Fermi level, using a parametrized form of surface potential. The measured dispersion of the surface state is significantly different from that of the corresponding (111) surface state. The dispersion shows a maximum binding energy at the surface Brillouin zone boundary. Surface band structure of Cu(100) is calculated using a tight-binding muffin-tin orbital Green's function formalism.

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Figs. 88 - 115, Table 30
Book Title
Electronic and Vibrational Properties
In Group IB (noble metals): Cu, Ag, Au
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Landolt-Börnstein - Group III Condensed Matter
  • G. Chiarotti
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  • K. Jakobi
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