Significance of model Hamiltonians in energy-band theory
- 1 January 1968
- journal article
- research article
- Published by Taylor & Francis in Advances in Physics
- Vol. 17 (65), 79-92
- https://doi.org/10.1080/00018736800101266
Abstract
The results of recent ab initio calculations of energy bands are compared with interpolation schemes in order to assess the significance of the latter. When the parameters in the interpolation scheme are required to correspond to those obtainable by an ab initio calculation based on a reasonable one-electron potential, we describe the scheme as a model Hamiltonian. The analytic character of model Hamiltonians for s–p bands (pseudopotential case) or for d bands interacting with s–p bands (resonance case) is summarized. The compatibility of the results of several workers with these analyticity requirements is considered. It is shown that if the empirically-motivated adjustments of parameters are to be regarded as physically significant, these adjustments must satisfy rather strict conditions.Keywords
This publication has 25 references indexed in Scilit:
- Structure and Resistivity of Liquid MetalsPhysical Review B, 1966
- Band Structures and Pseudopotential Form Factors for Fourteen Semiconductors of the Diamond and Zinc-blende StructuresPhysical Review B, 1966
- The screened model potential for 25 elementsPhilosophical Magazine, 1965
- Theory of Sodium, Magnesium, and AluminumPhysical Review B, 1964
- Electronic Spectra of Crystalline Germanium and SiliconPhysical Review B, 1964
- The Fermi surface of aluminiumPhilosophical Magazine, 1963
- Optical Properties of AluminumPhysical Review B, 1963
- Energy Band Structure of CopperPhysical Review B, 1963
- Dielectric Screening and Self-Consistent Crystal FieldsPhysical Review B, 1961
- Density of States Curve for the 3d Electrons in NickelProceedings of the Physical Society. Section A, 1952