Pseudoatom version of the rigid-muffin-tin approximation
- 15 April 1981
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 23 (8) , 3691-3699
- https://doi.org/10.1103/physrevb.23.3691
Abstract
The electron-phonon coupling parameter () is calculated for the metals K, Al, Cu, and Nb using the rigid-muffin-tin approximation but with the Fermi energy as an adjustable parameter and phase shifts obtained by fitting the Fermi-surface dimensions. A pseudoatom muffin-tin potential is obtained by making a suitable choice of the Fermi-energy parameter. In simple metals the choice is defined in terms of the screening constraint. In transition metals an arbitrary choice (half the "band-structure" value) is suggested. For the simple metals changes by a factor of 3 or more over the range of Fermi energies considered but agrees well with experimental estimates at the pseudoatom value. In niobium the shift leaves the average value of essentially unaltered but changes the anisotropy so as to better match the experimental anisotropy. Provided the same criteria are used for determining the Fermi-energy parameter, very similar results are obtained using a scaling procedure suggested by Butler and based on the atomic-sphere approximation.
Keywords
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