Experimental Observation and Computer Simulation of Al/Sn Substitution in p-Type Aluminum Nitride-Doped Tin Oxide Thin Film

Po Ming Lee, Yen Shuo Liu, Luis Villamagua, Arvids Stashans, Manuela Carini, Cheng Yi Liu

Research output: Contribution to journalArticlepeer-review

36 Scopus citations

Abstract

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.

Original languageEnglish
Pages (from-to)4211-4218
Number of pages8
JournalJournal of Physical Chemistry C
Volume120
Issue number8
DOIs
StatePublished - 3 Mar 2016

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