CALCULATION OF ELASTIC GREEN'S FUNCTIONS FOR LATTICES WITH CAVITIES


J. SCHIØTZ and A. E. CARLSSON

Department of Physics, Washington University, St. Louis, MO 63130-4899


Abstract

In this Brief Report, we present an algorithm for calculating the elastic Lattice Greens Function of a regular lattice, in which defects are created by removing lattice points. The method is computationally efficient, since the required matrix operations are on matrices that scale with the size of the defect subspace, and not with the size of the full lattice. This method allows the treatment of force fields with multi-atom interactions.
Accepted for publication in Phys. Rev. B, scheduled for the Aug 1, 1997 issue.

A preprint is available as compressed PostScript (3 pages, 32 kB compressed (gzip), 98 kB uncompressed).

Also available from the preprint archive as paper no. cond-mat/9612159.


Last modified: April 30, 1997.

Jakob Schiøtz, schiotz@fysik.dtu.dk