Effects of Nb impurity on orthorhombic PbZrO3 crystals
A study of Nb doping in lead zirconate (PbZrO3) has been carried out by using a quantum-chemical method developed for crystals and a periodic supercell model. One of the Zr atoms was replaced by an Nb atom in the supercell consisting of 80 atoms. The obtained geometry optimization for the defective...
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| Formato: | article |
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2008
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| Acceso en línea: | http://dspace.utpl.edu.ec/handle/123456789/19276 |
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