Quantum chemical investigation of lanthanum doping effects in tetragonal and rhombohedral PZT materials

tructural and electronic properties of lead-zirconate-titanate (PZT) materials doped with a lanthanum (La) impurity are studied using a quantum-chemical approach based on the Hartree-Fock theory. Performed geometry optimization in the defective crystals shows that the atomic movements are predominan...

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Autor principal: Stashans, A. (author)
Otros Autores: Maldonado, F. (author)
Formato: article
Publicado: 2008
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Acceso en línea:http://dspace.utpl.edu.ec/handle/123456789/19293
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