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Electronic structure of the layered ferroelectric perovskite SrBi<inf>2</inf>Ta<inf>2</inf>O<inf>9</inf>

Robertson, J and Chen, CW and Warren, WL (1996) Electronic structure of the layered ferroelectric perovskite SrBi<inf>2</inf>Ta<inf>2</inf>O<inf>9</inf>. Materials Research Society Symposium - Proceedings, 433. pp. 279-284. ISSN 0272-9172

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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 block. The valence band maximum arises from O 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.

Item Type: Article
Divisions: Div B > Solid State Electronics and Nanoscale Science
Depositing User: Cron Job
Date Deposited: 09 Dec 2016 17:48
Last Modified: 29 Jun 2017 06:10