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...

• Главный автор: Stashans, A. (author)
• Формат: article
• Опубликовано: 2007
• Предметы: Electronic and structural property
• Online-ссылка: http://dspace.utpl.edu.ec/handle/123456789/18852