Abstract
The `Green's function' method for the calculation of electronic band structure is investigated. The general T-matrix theory of Beeby and Edwards is used to transform the formulae of Korringa and of Kohn and Rostoker to a `reciprocal lattice representation' which is equivalent to a `nearly free electron' formalism. The matrix elements between plane waves then correspond to a `pseudo-potential', which depends mainly on the phase shifts of the atomic potentials but which is also a function of the wave vector and energy of the Bloch state being considered. For small phase shifts it tends to the scattering amplitude or `quasi-potential' of an atomic potential.
Keywords
Wave functionPhysicsMatrix (chemical analysis)ScatteringQuantum mechanicsLattice (music)Bloch waveReciprocalPlane waveCondensed matter physicsMatrix representationFormalism (music)Chemistry
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Publication Info
- Year
- 1965
- Type
- article
- Volume
- 86
- Issue
- 2
- Pages
- 337-353
- Citations
- 184
- Access
- Closed
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Cite This
John Ziman
(1965).
The<i>T</i>matrix, the<i>K</i>matrix, d bands and<i>l</i>-dependent pseudo-potentials in the theory of metals.
Proceedings of the Physical Society
, 86
(2)
, 337-353.
https://doi.org/10.1088/0370-1328/86/2/311
Identifiers
- DOI
- 10.1088/0370-1328/86/2/311