The electronic and optical properties of carbon-doped SrTiO3: Density functional characterization
The electronic properties and optical activities of C-doped cubic SrTiO3 in perovskite structure are studied by first-principles calculation. The calculated formation energies show that the substitutional C impurity is preferentially occupied at the Ti site. For C@O, the C impurity introduces spin-p...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2012-09-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4746023 |