Self-consistent calculations for shallow defects in semiconductors: II. Donor-acceptor pairs

A M Stoneham, A H Harker
1975 Journal of Physics C Solid State Physics  
A general method has been developed for performing self-consistent calculations for shallow defects or defect complexes in semiconductors. Results are given here for donoracceptor pairs in GaP and a comaprison is made of the various treatments of central-cell corrections and the effects arising from the overlap of the donor and acceptor wavefunctions. Whilst no detailed refitting of host parameters is attempted, it seems likely that the current estimate of the bandgap (2.339 eV) is too large,
more » ... eV) is too large, and the latest estimates of the dielectric constant may also be inaccurate.
doi:10.1088/0022-3719/8/8/014 fatcat:uzdlttdpmvcbzpc2csyeufycoy