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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 SrBi 2 Ta 2 O 9 (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: 17 Jul 2017 19:04
Last Modified: 28 Dec 2017 01:51