Local atomic structure of semiconductor alloys using pair distribution functions. II

Jean S. Chung, M. F. Thorpe
1999 Physical Review B (Condensed Matter)  
A method of calculating the pair distribution function in semiconductor alloys has been extended to the differential and the partial pair distribution functions, and applied to pseudobinaries of the form A 1Ϫx B x C with the zinc-blende structure. We have used a simple valence force model with bond-stretching and bond-bending forces. Results of calculations are presented for Ga 0.5 In 0.5 As. The differential pair distribution function provides a useful experimental way of determining the
more » ... ural distortions in semiconductor alloys-specifically the mean nearest-neighbor and second-neighbor distances and widths can be obtained for chemically specific pairs of atoms. ͓S0163-1829͑99͒00407-5͔
doi:10.1103/physrevb.59.4807 fatcat:iuhaoxad75crhl32kcbslygjde