Microstructure and optical properties of ? - Fe2 O3 containing F-centres
Effects produced in the hematite (?-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. Fi...
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| Médium: | article |
| Vydáno: |
2010
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| On-line přístup: | http://dspace.utpl.edu.ec/handle/123456789/18853 |
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