First principle studies on molecular doping of ZnO thin films by As2O3

This work investigates the extrinsic molecular doping of zinc oxide (ZnO) thin films grown by plasma enhanced molecular beam epitaxy (P-MBE). The dopant was thermally evaporated arsenic trioxide (formula: As 2O 3 in the solid state), which appears as As 4O 6 molecule in the gaseous phase. Cracking experiments of these As4O6 molecules were made using a radio frequency oxygen plasma. Structural, chemical and optical investigations were made with (High Resolution) X-ray diffraction (HRXRD), secondary ion mass spectroscopy (SIMS) and photoluminescence (PL). These results show high incorporation rates (about 2x10 18 cm -3) and optical activity of the dopant.