A quantum mechanical study of La-doped Pb(Zr,Ti)O-3

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...

• Autore principale: Stashans, A. (author)
• Altri autori: Maldonado, F. (author)
• Natura: article
• Pubblicazione: 2006
• Soggetti: electronic and structural property; hartree; fock method; lanthanum; morphotropic phase boundary; pzt
• Accesso online: http://dx.doi.org/10.1016/j.physb.2006.11.026; http://dspace.utpl.edu.ec/handle/123456789/19283