Abstract
The electronic structures of pure and Nb 5+ , La 3+ doped ferroelectric PbTiO 3 have been calculated with discrete variation Xα(DV - Xα) embedded cluster method. Based on the relative distribution of partial density of states (PDOS) of Ti 4+ , Nb 5+ , La 3+ , and Pb 2+ ions. We could clarify the resistant effect of Nb 5+ , La 3+ doping on the ferroelectric fatigue in PbTiO 3 based material system (PZT).
Original language | English |
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Pages (from-to) | 163-169 |
Number of pages | 7 |
Journal | Ferroelectrics |
Volume | 281 |
DOIs | |
Publication status | Published - 1 Jan 2002 |
Keywords
- Cluster
- Electronic structure
- Ferroelectric fatigue
ASJC Scopus subject areas
- Materials Science(all)
- Condensed Matter Physics
- Electronic, Optical and Magnetic Materials