Please use this identifier to cite or link to this item:
Title: Design of a low band gap oxide ferroelectric: Bi6Ti 4O17
Authors: Xu, B. 
Singh, D.J.
Cooper, V.R.
Feng, Y.P. 
Issue Date: May-2011
Source: Xu, B., Singh, D.J., Cooper, V.R., Feng, Y.P. (2011-05). Design of a low band gap oxide ferroelectric: Bi6Ti 4O17. EPL 94 (3) : -. ScholarBank@NUS Repository.
Abstract: A strategy for obtaining low band gap oxide ferroelectrics based on charge imbalance is described and illustrated by first-principles studies of the hypothetical compound Bi6Ti4O17, which is an alternate stacking of the ferroelectric Bi4Ti3O 12. We find that this compound is ferroelectric, similar to Bi 4Ti3O12 although with a reduced polarization. Importantly, calculations of the electronic structure with the recently developed functional of Tran and Blaha yield a much reduced band gap of 1.83 eV for this material compared to Bi4Ti3O12. Therefore, Bi6Ti4O17 is predicted to be a low band gap ferroelectric material. Copyright © 2011 EPLA.
Source Title: EPL
ISSN: 02955075
DOI: 94/37006
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.


checked on Jan 22, 2018

Page view(s)

checked on Feb 19, 2018

Google ScholarTM



Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.