15min:

YANG YANG AND RUSSELL M. PITZER, Department of Chemistry, The Ohio State University, Columbus, OH 43210.

The 1.54 µm photoluminescence (⁴I_13/2 ⁴I_15/2 intra-4f shell emissions) of Er³⁺ doped in the semiconductor GaN has attracted interest for a long time, because of the potential application in optical communications due to its efficient transmission and temperature stability in semiconductor-based fibers. In our current research, we use ab initio spin-orbit configuration interaction calculations with relativistic effective core potentials to study the wave function character and energy of both the ground and excited states of ErN₄^9- aiming to compare the calculated transition frequency between those states with the available experimental data. In this calculation, ErN₄^9- has a local tetrahedral symmetry in the GaN crystal. The transition moments will be computed as well to understand the interactions giving a non-zero value.