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Energy Levels of Point Defects in Perovskite Oxides

Published online by Cambridge University Press:  15 February 2011

J. Robertson  and
W. L. Warren
J. Robertson
Affiliation:
Engineering Dept, Cambridge University, Cambridge CB2 1PZ, UK
W. L. Warren
Affiliation:
Sandia National Laboratories, Albuquerque, NM 87185–1349.
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Abstract

The band structure and energy levels of defects in BaTi3, PbTiO3 and PbZrO3 are calculated and compared. The band gap of Pb(Zr,Ti)O3 varies little because the band edges are formed of Pb 6s and 6p states. The charged Ti and O vacancies are found to be shallow. Transition metal impurities at the B site are found to give rise to numerous charge states because of their high intra-atomic electron repulsion. The levels of Cr4+, Fe4+ and Co4+ lie near midgap. Ti3+ trapped electron centers become deep at higher Zr contents in PZT.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 361: Symposium I2 – Ferroelectric Thin Films IV , 1994 , 123
Copyright
Copyright © Materials Research Society 1995

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References

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