Tight-binding study of the electron-phonon interaction in bcc transition metals and alloys

G. Fletcher, J. L. Fry, P. C. Pattnaik, D. A. Papaconstantopoulos, and N. C. Bacalis
Phys. Rev. B 37, 4944 – Published 1 April 1988
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Abstract

The tight-binding method has been used to study the electron-phonon interaction in several bcc transition metals and alloys. Slater-Koster fits to self-consistent, scalar-relativistic, augmented-plane-wave band calculations have been employed and scaling relations were used in determining gradients of the tight-binding matrix elements. The two-center integral parameters were adjusted for alloys in a way which explicitly accounts for the change in lattice constant. Results for 3d and 4d transition-metal elements are in good agreement with rigid-muffin-tin calculations. In addition, the electron-phonon coupling in MoxNb1x is evaluated from densities of states calculated by the coherent-potential approximation. The measured variation of the superconducting transition temperature as a function of x is reproduced well by this calculation.

  • Received 16 November 1987

DOI:https://doi.org/10.1103/PhysRevB.37.4944

©1988 American Physical Society

Authors & Affiliations

G. Fletcher and J. L. Fry

  • The University of Texas at Arlington, Arlington, Texas 76019

P. C. Pattnaik

  • IBM Thomas J. Watson Research Center, Yorktown Heights, New York 10598

D. A. Papaconstantopoulos

  • Naval Research Laboratory, Washington, D.C. 20375

N. C. Bacalis

  • Research Center of Crete, Heraklion, Crete, Greece

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Issue

Vol. 37, Iss. 10 — 1 April 1988

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