APPLICATION AND EXTENSIONS OF THE GREEN'S FUNCTION METHOD

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Abstract
The conventional application of the Green's Function Method (GFM) to the calculation of the energy bands of Zn is discussed. In contrast to the previously accepted picture of Zn, d-bands are found to lie above the conduction band minimum. This result is strongly supported by recent X-ray emission and photoemission studies. Above the d-bands the calculated E(k) are nearly-free-electron-like. The Fermi surface dimensions and the low energy absorption spectrum for these E(k) are in good accord with the experimental data. Three extensions of the GFM are discussed. The first is its use as a parametrization scheme in which the l = 0,1 and 2 phase shifts are the quantities to be adjusted. The advantages of this scheme are noted and its application to a semiempirical determination of the Ag band structure is discussed. The second is the use of the GFM to determine convenient and accurate expressions for the effective mass parameters for states at various symmetry points. Results for a number of metals with the f. c. c. and b. c. c. structure are given. Finally, expressions for the deformation potentials obtained within the GFM framework are presented

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