Concentration of point defects in wurtzite AlN: A hybrid functional study
Leonardo Silvestri, Kerry Dunn, Steven Prawer, Francois Ladouceur
Europhysics Letters | IOP PUBLISHING LTD | Published : 2012
Formation energies and concentrations of the most relevant point defects in n-type wurtzite AlN are obtained by first-principle calculations employing a hybrid functional. We show that the incorporation of Si is favoured over O under N-rich growth conditions, but not under Al-rich conditions. The triply negatively charged Al vacancy is found to be the defect with the lowest formation energy in n-type AlN and it is therefore expected to be the main compensating acceptor. Under typical physical vapor-phase transport growth conditions, we predict Si concentrations of up to 10 cm and net donor concentrations of about 10 cm , in good agreement with available experimental data. Copyright © ..View full abstract
Awarded by Australian Research Council
This work was supported by the Australian Research Council Linkage project LP0991781 and by an award under the Merit Allocation Scheme on the NCI National Facility at the ANU.