In this work, we used multi-scale computational simulation methods combined with density functional theory (DFT) and finite element analysis (FEA) in order to study the optical properties of substitutional doped aluminium nitride (AlN). There was strong surface plasmon resonance (SPR) in the near-infrared region of AlN substituted with different alkali metal doping configurations. The strongest electric field strength reached 109 V/m. There were local exciton and charge transfer exciton behaviours in some special doping configurations. These research results not only improve the application of multi-scale computational simulations in quantum surface plasmons, but also promote the application of AlN in the field of surface-enhanced linear and non-linear optical spectroscopy.
Keywords: impurity controlled; plasmon; surface polarirons.