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Electronic Structure of the Layered Ferroelectric Perovskite SrBi2Ta2O9

Published online by Cambridge University Press:  10 February 2011

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

The band structure of the Bi layered perovskite SrBi2Ta2O9 (SBT) has been calculated by the tight binding method. We find both the valence and conduction band edges to consist of states primarily derived from the Bi-O layer rather than the perovskite Sr-Ta-O blocks. The valence band maximum arises from 0 p and some Bi s states, while the conduction band minimum consists of Bi p states, with a band gap of 5.1 eV. It is argued that the Bi-O layers largely control the electronic response of SBT while the ferroelectric response originates from the perovskite Sr-Ta-O block. Bi and Ta centered traps are calculated to be shallow, which may account in part for the excellent fatigue properties of SBT.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 433: Symposium T – Ferroelectric Thin Films V , 1996 , 279
Copyright
Copyright © Materials Research Society 1996

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