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...
Uloženo v:
| Hlavní autor: | Stashans, A. (author) |
|---|---|
| Médium: | article |
| Vydáno: |
2007
|
| Témata: | |
| On-line přístup: | http://dspace.utpl.edu.ec/handle/123456789/18852 |
| Tagy: |
Žádné tagy, Buďte první, kdo vytvoří štítek k tomuto záznamu!
|
Podobné jednotky
-
A quantum mechanical study of La-doped Pb(Zr,Ti)O-3
Autor: Stashans, A.
Vydáno: (2006) -
A quantum-chemical study of oxygen-vacancy defects in PbTiO3 crystals
Autor: Stashans, A.
Vydáno: (2006) -
Ti-doped alpha-Fe2O3 by quantum-chemical modeling
Autor: Rivera Escobar, R.
Vydáno: (2010) -
First-principles investigation of Fe-doped MgSiO 3-ilmenite
Autor: Stashans, A.
Vydáno: (2012) -
Local structure, magnetic and electronic properties of N-doped alpha-Cr2O3 from the first-principles
Autor: Stashans, A.
Vydáno: (2017)