Journal
JOURNAL OF PHYSICS D-APPLIED PHYSICS
Volume 48, Issue 33, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/0022-3727/48/33/335102
Keywords
CuAlO2; Na doping; photoluminescence; optical property; first-principles calculation
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Funding
- National Natural Science Foundation of China [10874178, 11074093, 61205038, 11274135]
- Specialized Research Fund for the Doctoral Program of Higher Education [20130061130011]
- Ph.D. Programs Foundation of Ministry of Education of China [20120061120011]
- Natural Science Foundation of Jilin province [201115013]
- National Found for Fostering Talents of Basic Science [J1103202]
- High Performance Computing Center of Jilin University, China
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We report that a band-tail emission at 3.08 eV, lower than near-band-edge energy, is observed in photoluminescence measurements of bulk Na-doped CuAlO2. The band-tail emission is attributed to Na-related defects. Electronic structure calculations based on the first-principles method demonstrate that the donor-acceptor compensated complex of Na-Al-2Na(i) in Na-doped CuAlO2 plays a key role in leading to the band-tail emission and bandgap narrowing. Furthermore, Hall effect measurements indicates that the hole concentration in CuAlO2 is independent on Na doping, which is well understood by the donor-acceptor compensation effect of Na-Al-2Na(i) complex.
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