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Selected Works of Duane D. Johnson
Article
Density-Functional Theory for Random Alloys: Total Energy within the Coherent-Potential Approximation
Physical Review Letters (1986)
  • Duane D. Johnson, University of Cincinnati
  • D. M. Nicholson
  • F. J. Pinski, University of Cincinnati
  • B. L. Gyorffy, University of Bristol
  • G. M. Stocks, Oak Ridge National Laboratory
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Abstract
A density-functional-based theory is developed for calculation of the total energy and pressure of random substitutional alloys within the Korringa-Kohn-Rostoker coherent-potential approximation. The theory is used to calculate the concentration variation of the equilibrium lattice spacing of α-phase CucZn1−c alloys. We find, in agreement with experiment, that the variation is almost linear and that it deviates from Vegard's rule.
Disciplines
Publication Date
May 12, 1986
Publisher Statement
Copyright 1986 American Physical Society
Citation Information
Duane D. Johnson, D. M. Nicholson, F. J. Pinski, B. L. Gyorffy, et al.. "Density-Functional Theory for Random Alloys: Total Energy within the Coherent-Potential Approximation" Physical Review Letters Vol. 56 Iss. 19 (1986)
Available at: http://works.bepress.com/duane_johnson/78/