Abstract:
We present results of adiabatic bond charge calculations for the Si(001) Bi(2 x 1) surface using electronic and geometric data obtained from ab-initio pseudopotential calculations. The results are compared to those of several other dimerised adsorbate covered Si(001) surfaces. These are found to be consistent with the current understanding of such systems, and departures from it are discussed. (C) 2000 Elsevier Science B.V. All rights reserved.