Modelling the deposition process on the CdTe/CdS interface

We deposit a CdxTey (x,y=0,1) cluster onto the wurtzite (1 1 1) Cd and S terminated CdS surfaces with energies ranging from 1 to 40 eV. More than 1200 simulations have been performed for each of these cases so as to sample the possible deposition positions and to collect sufficient statistics. The results show that Cd atoms are more readily sputtered from the surface than Te atoms and the sticking probability is higher on S terminated surfaces than Cd terminated surfaces. They also show that increasing the deposition energy typically leads to an increase in the number of deposited atoms replacing surface atoms and tends to decrease the number of atoms that sit on the surface layer, whilst increasing the number of interstitials observed.