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Application Of The Method Of Lattice Statics To Vacancies In Aluminum, Larry Boyer, John R. Hardy
Application Of The Method Of Lattice Statics To Vacancies In Aluminum, Larry Boyer, John R. Hardy
John R. Hardy Papers
In this paper the method of lattice statics is applied to the calculation of the atomic displacements about a vacancy in aluminum using a fifth-neighbor force-constant model for the dynamical matrix and the vacancy-host lattice interaction. The strain-field interaction energy between two vacancies is similarly calculated. The main object of this work is to demonstrate the important modifications of earlier results, obtained for a first- and second-neighbor force-constant model, when one uses the fifth-neighbor model designed to give a significantly better fit to the measured phonon dispersion curves. In particular it is demonstrated that the displacements about the vacancy continue …
Calculation Of Point-Defect Energies And Displacements In Alkali Halides Using The Lattice-Statics Method, Arnold Karo, John Hardy
Calculation Of Point-Defect Energies And Displacements In Alkali Halides Using The Lattice-Statics Method, Arnold Karo, John Hardy
John R. Hardy Papers
The method of lattice statics, in the zero-order approximation, is used to evaluate the Schottky-pair formation energies and the displacement fields about positive- and negative-ion vacancies for all alkali halide crystals with rock-salt structures. The deformation-dipole model, used extensively in earlier work on the lattice dynamics of these crystals, is employed to describe the host lattice. Long-range Coulomb interactions are included explicitly, and short-range repulsive interactions are described by a simple Born-Mayer potential. Comparison is made with earlier Mott-Littleton-type calculations and very satisfactory agreement is found. Comparison with available experimental values is somewhat less satisfactory, particularly regarding the lithium salts; …