Issue |
EPL
Volume 98, Number 3, May 2012
|
|
---|---|---|
Article Number | 36003 | |
Number of page(s) | 6 | |
Section | Condensed Matter: Structural, Mechanical and Thermal Properties | |
DOI | https://doi.org/10.1209/0295-5075/98/36003 | |
Published online | 03 May 2012 |
Concentration of point defects in wurtzite AlN: A hybrid functional study
1
School of Electrical Engineering and Telecommunications, University of New South Wales Sydney, NSW 2052, Australia
2
Silanna Semiconductor - Sydney Olympic Park, Sydney, NSW 2127, Australia
3
School of Physics, The University of Melbourne - Melbourne, VIC 3010, Australia
Received:
26
March
2012
Accepted:
17
April
2012
Formation energies and concentrations of the most relevant point defects in n-type wurtzite AlN are obtained by first-principle calculations employing a hybrid functional. We show that the incorporation of Si is favoured over O under N-rich growth conditions, but not under Al-rich conditions. The triply negatively charged Al vacancy is found to be the defect with the lowest formation energy in n-type AlN and it is therefore expected to be the main compensating acceptor. Under typical physical vapor-phase transport growth conditions, we predict Si concentrations of up to 1020 cm− 3 and net donor concentrations of about 1018 cm− 3, in good agreement with available experimental data.
PACS: 61.72.uj – III-V and II-VI semiconductors / 61.72.J- – Point defects and defect clusters / 71.55.Eq – III-V semiconductors
© EPLA, 2012
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