Abstract
If the static lattice Green function of a crystal is known then the distortions produced in the crystal by a point defect may be obtained simply from the Green function and the forces acting on the crystal due to the defect. The numerical evaluation of the Green function for a given model of the crystal force constants involves Brillouin zone summation of a function which is singular at the origin and this singularity can cause considerable numerical convergence problems. It is shown that a useful calculational procedure involves evaluating the Brillouin zone summation by using the Chadi and Cohen sets (1973) of special points in the Brillouin zone together with an efficient extrapolation procedure. Green functions are calculated for some FCC and BCC metals using the force constants obtained from Born-von Karman fits to experimental lattice vibration spectra.
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