J.A. Barker, D. Henderson, et al.
Molecular Physics
Total-energy band calculations based on the augmented-spherical-wave method are used to determine the binding curves of the elements and of selected compounds in the Ag-Cu system. The calculated total energies, together with vibrational free energies determined by a Debye-Grneisen analysis of the binding curves and configurational entropies determined by the cluster variation method, are used to calculate the solid-state portion of the Ag-Cu phase diagram. The solubilities at both ends of the phase diagram, calculated with no adjustable parameters, are in excellent agreement with experiment. For the Ag-Cu system, it is shown that local volume relaxation effects are very important and that significant improvement in the calculated phase diagram is obtained by including vibrational free energies. © 1991 The American Physical Society.
J.A. Barker, D. Henderson, et al.
Molecular Physics
Julian J. Hsieh
Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films
I.K. Pour, D.J. Krajnovich, et al.
SPIE Optical Materials for High Average Power Lasers 1992
R.J. Gambino, N.R. Stemple, et al.
Journal of Physics and Chemistry of Solids