Journal
SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY
Volume 53, Issue 7, Pages 1261-1265Publisher
SCIENCE PRESS
DOI: 10.1007/s11433-010-4026-x
Keywords
S-doped CuAlO2; first principles methods; conductivity; doping
Categories
Funding
- National Laboratory of Solid State Microstructures [2010YJ07]
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We study the electronic properties of CuAlO2 doped with S by the first principles calculations and find that the band gap of CuAlO2 is reduced after the doping. At the same time, the effective masses are also reduced and the density of states could cross the Fermi level. These results show that the conductivity of CuAlO2 could be enhanced by doping the impurities of S, which needs to be further studied.
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