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...

• 1. Verfasser: Stashans, A. (author)
• Weitere Verfasser: Maldonado, F. (author)
• Format: article
• Veröffentlicht: 2006
• Schlagworte: electronic and structural property; hartree; fock method; lanthanum; morphotropic phase boundary; pzt
• Online Zugang: http://dx.doi.org/10.1016/j.physb.2006.11.026; http://dspace.utpl.edu.ec/handle/123456789/19283