Department of Physics and Astronomy: Publications and Other Research
John R. Hardy Papers
Document Type
Article
Date of this Version
5-15-1971
Citation
Physical Review (May 15, 1971) 3(10)
Abstract
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; but for "typical" alkali halides, e.g. NaCl and KC1, the calculated values are within 10% of the experimental values.
Comments
Copyright 1971, American Physical Society. Used by permission