A quantum-chemical study of oxygen-vacancy defects in PbTiO3 crystals
Investigation of an oxygen vacancy and F center in the cubic and tetragonal lattices of PbTiO3 crystals is done by means of quantum-chemical simulations. Displacements of defect-surrounding atoms, electronic and optical properties, lattice relaxation energies and some new effects due to the defects...
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| Other Authors: | , |
| Format: | article |
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2006
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| Online Access: | http://dspace.utpl.edu.ec/handle/123456789/19213 |
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