Calculation of Lattice Relaxation in Some Substitutional Alloys Using a Green Function
S.K. Dasa and S. Datta Roy (Paul)b
a Azad Physics Centre, Department of Physics, Maulana Azad College, Calcutta 700 013, India
b Department of Physics, Bethune College, Calcutta 700006, India
Received: July 1, 1998; revised version November 10, 1998; in final form February 1, 1999
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In this paper we calculate nearest neighbour relaxation in some dilute substitutional alloys using a lattice static Green function and the Morse potential function. Distant neighbour relaxation is calculated by invoking a continuum approximation. The potential parameters for the unlike interactions are calculated using simple interpolation formulae. Using the above relaxation, we calculate volume changes in the above alloys. It is observed that the simple model predicts values which are in reasonably good agreement with the experimental values in all cases. The calculated values are also compared with those obtained from the Vegard law. For Au-Ag alloy, our model reproduces both the correct sign and the magnitude of the volume change, whereas the Vegard law cannot even give the sign of the volume change. This shows the inherent strength of the present model.
DOI: 10.12693/APhysPolA.95.359
PACS numbers: 61.72.Bb, 61.82.Bg