Strong Asymmetrical Doping Properties of Spinel CoAl2O4
Using first-principles density-functional theory, we have investigated the intrinsic and extrinsic doping properties of CoAl{sub 2}O{sub 4} by calculating the transition energies and formation energies of intrinsic and extrinsic defects. We find that CoAl{sub 2}O{sub 4} exhibits strong asymmetrical doping properties: Although excellent p-type conductivity can be achieved by Li or Na doping at O-rich growth condition, n-type conductivity cannot be achieved by any intrinsic or extrinsic dopants at any growth conditions. These asymmetrical doping properties are attributed to the formation of intrinsic defects, particularly Al{sub Co}, which has very low formation energy at all growth conditions. Our results suggest that for better use of CoAl{sub 2}O{sub 4}, the electronic devices should require CoAl{sub 2}O{sub 4} to exhibit p-type conductivity.
- Research Organization:
- National Renewable Energy Lab. (NREL), Golden, CO (United States)
- Sponsoring Organization:
- USDOE Office of Energy Efficiency and Renewable Energy Hydrogen and Fuel Cell Technologies Program
- DOE Contract Number:
- AC36-08GO28308
- OSTI ID:
- 1049643
- Journal Information:
- Journal of Applied Physics, Vol. 111, Issue 9; Related Information: Article No. 093723; ISSN 0021-8979
- Country of Publication:
- United States
- Language:
- English
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