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Ferromagnetism Versus Antiferromagnetism In Face-Centered-Cubic Iron, F. J. Pinski, J. Staunton, B. L. Gyorffy, Duane D. Johnson, G. M. Stocks
Ferromagnetism Versus Antiferromagnetism In Face-Centered-Cubic Iron, F. J. Pinski, J. Staunton, B. L. Gyorffy, Duane D. Johnson, G. M. Stocks
Duane D. Johnson
Using a first-principles disordered-local-moment picture of itinerant-electron magnetism, we calculated the temperature and volume dependence of the magnetic moment and spin-spin correlations for fcc Fe in the paramagnetic state.
Density-Functional Theory For Random Alloys: Total Energy Within The Coherent-Potential Approximation, Duane D. Johnson, D. M. Nicholson, F. J. Pinski, B. L. Gyorffy, G. M. Stocks
Density-Functional Theory For Random Alloys: Total Energy Within The Coherent-Potential Approximation, Duane D. Johnson, D. M. Nicholson, F. J. Pinski, B. L. Gyorffy, G. M. Stocks
Duane D. Johnson
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.