A quantum mechanical study of La-doped Pb(Zr,Ti)O3
Lanthanum-modified Pb(Zr,Ti)O3 (PZT) crystals have been investigated applying a quantum-mechanical approach based on the Hartree-Fock theory. A morphotropic phase boundary (MPB), PbZr0.53Ti0.47O3, of the crystal was considered throughout the study. The obtained results show the outward atomic displa...
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| Formato: | article |
| Publicado em: |
2007
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| Acesso em linha: | http://dspace.utpl.edu.ec/handle/123456789/18852 |
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