Investigation of the Thermal Decomposition of Triethylgallium Using in situ Raman Spectroscopy and DFT Calculations

Pathways for homogeneous thermal decomposition of (C2H5)3Ga (TEGa) were followed using in situ Raman spectroscopy measurements in an up-flow, cold-wall CVD reactor. The results of Density Functional Theory (DFT) calculations were used to assign measured Raman bands to the decomposition products (Et)3Ga, (DEGa)2, (Et)GaH–Ga(Et)2 and (Et)GaH–GaH2. The results of this study are consistent with both –hydride elimination and homolysis pathways active. DFT calculations using the B3LYP/LanL2DZ model chemistry were also performed to screen possible routes and estimate their reaction rate parameters.