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Phys. Rev. B 24, 3115–3121 (1981)

Non-rigid-muffin-tin calculations of the electron-phonon interaction in simple metals

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A. D. Zdetsis
Department of Physics, University of Crete, Crete, Greece

E. N. Economou*
Department of Physics, University of Athens, Athens, Greece

D. A. Papaconstantopoulos
Naval Research Laboratory, Washington, D. C. 20375

Received 12 May 1980; revised 13 April 1981; published in the issue dated 15 September 1981

The Gaspari-Gyorffy theory for calculating the electron-phonon interaction λ is extended to incorporate a correction to the rigid-muffin-tin approximation (RMTA). This correction is achieved by constructing a potential which has the correct asymptotic behavior at large distances and reduces to essentially a uniform potential well inside the muffin-tin sphere. This method is particularly applicable to the simple metals where the usual RMTA underestimates λ. The results obtained without any adjustable parameter are in better agreement with the experimental data than those obtained by the RMTA.

© 1981 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.24.3115
DOI:
10.1103/PhysRevB.24.3115
PACS:

*On leave from the University of Virginia.