Abstract
Positron lifetime measurements were performed on lanthanide- (Ln) ion-doped PbTiO3 and identified the presence of both Pb vacancy, V-Pb, and Ti vacancy, V-Ti, related point defects. Increasing the concentration of Ln ions La to Eu resulted in an increase in the dominant contribution to the positron lifetime spectrum from V-Pb-related defects, consistent with donor ion substitution at the Pb site. By contrast, increasing the concentration of Dy ions decreased the ratio of V-Pb- to V-Ti-related defects. The behavior is attributed to the incorporation of Dy3+ ions as acceptors at Ti sites. Density-functional theory calculations of positron lifetimes for vacancy complexes, and relaxed structure monovacancy defects, in PbTiO3 are reported and support the vacancy-defect assignments.
Original language | English |
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Article number | 024113 |
Pages (from-to) | - |
Number of pages | 7 |
Journal | Physical Review B: Condensed matter and materials physics |
Volume | 82 |
Issue number | 2 |
DOIs | |
Publication status | Published - 29 Jul 2010 |
Keywords
- MODIFIED LEAD TITANATE
- RARE-EARTH ADDITIVES
- ELECTRONIC-STRUCTURE
- GRADIENT-CORRECTION
- B SITES
- ANNIHILATION
- BATIO3
- CERAMICS
- SOLIDS
- CAPACITORS