Microstructure and optical properties of alpha - Fe2 O3 containing F-centres
Effects produced in the hematite (alpha-Fe2O3) crystal due to the presence of F-centre are reported in the present work. The results are based on the performed quantum-chemical modelling using the Hartree-Fock methodology. A supercell consisting of 120 atoms has been used throughout the computations...
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| Beste egile batzuk: | , |
| Formatua: | article |
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2009
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| Sarrera elektronikoa: | http://dx.doi.org/10.1016/j.spmi.2009.10.013 http://dspace.utpl.edu.ec/handle/123456789/19315 |
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