The electronic structures of pure and Nb5+ , La3+ doped ferroelectric PbTiO3 have been calculated with discrete variation X-alpha (DV - X-alpha) embedded cluster method. Based on the relative distribution of partial density of states (PDOS) of Ti4+ , Nb5+ , La3+ , and Pb2+ ions. We could clarify the resistant effect of Nb5+ , La3+ doping on the ferroelectric fatigue in PbTiO3 based material system (PZT).
- Ferroelectric fatigue
- Electronic structure
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics