In
this study, the Al3+–Sn4+ substitution
reaction in the AlN-doped SnO2 thin films is confirmed
by photoluminescence and X-ray photoelectron spectrum analysis. Also,
both Al3+–Sn4+ and N3––O2– substitution reactions are verified
by computational simulation, Vienna ab initio simulation package
(VASP). The computational simulation shows that both Al and N impurity
dopants generate an unoccupied band at the upper valence band maximum,
which produces holes within the upper valence band region. Both Al3+–Sn4+ and N3––O2– substitution reactions contribute to the p-type conversion
of AlN-doped SnO2 thin films. Annealing AlN-doped SnO2 (Al content is 14.65%) thin films at high-temperature (larger
than 350 °C), N outgassing would occur and cause the p-type conduction
of the annealed AlN-doped SnO2 thin films back to n-type
conduction. Yet, in this work, we found that the Al3+–Sn4+ substitution reaction in the high Al-doping concentration
of Al-doped and AlN-doped SnO2 (the Al content is between
29% and 33.2%) thin films would be activated considerably, as they
are annealed at a temperature over 500 °C. With a higher Al-doping
concentration (Al concentration is 33.2%) in the Al-doped SnO2 thin films, we found that the critical annealing temperature
for the n-to-p conduction transition decreases to 500 °C. The
Al dopants in the AlN-doped SnO2 thin films annealed at
high annealing temperature not only stabilize the N3––O2– substitution reactions but also produce
hole carriers by the Al3+–Sn4+ substitution
reactions. The Al3+–Sn4+ substitution
makes the AlN-doped SnO2 retain the p-type conduction
in the high-temperature annealing.