St Andrews Research Repository

St Andrews University Home
View Item 
  •   St Andrews Research Repository
  • University of St Andrews Research
  • University of St Andrews Research
  • University of St Andrews Research
  • View Item
  •   St Andrews Research Repository
  • University of St Andrews Research
  • University of St Andrews Research
  • University of St Andrews Research
  • View Item
  •   St Andrews Research Repository
  • University of St Andrews Research
  • University of St Andrews Research
  • University of St Andrews Research
  • View Item
  • Login
JavaScript is disabled for your browser. Some features of this site may not work without it.

Energetics of donor-doping, metal vacancies, and oxygen-loss in A-site Rare-Earth-doped BaTiO3

Thumbnail
View/Open
AFDM_Ln_BTO_final.pdf (420.5Kb)
Date
12/08/2013
Author
Freeman, Colin L.
Dawson, James A.
Chen, Hung-Ru
Ben, Liubin
Harding, John H.
Morrison, Finlay D.
Sinclair, Derek C.
West, Anthony R.
Keywords
Doping
Semiconductors
Electroceramics
Computer simulations
QD Chemistry
Metadata
Show full item record
Altmetrics Handle Statistics
Altmetrics DOI Statistics
Abstract
The energetics of La-doping in BaTiO3 are reported for both (electronic) donor-doping with the creation of Ti3+ cations and ionic doping with the creation of Ti vacancies. The experiments (for samples prepared in air) and simulations demonstrate that ionic doping is the preferred mechanism for all concentrations of La-doping. The apparent disagreement with electrical conduction of these ionic doped samples is explained by subsequent oxygen-loss, which leads to the creation of Ti3+ cations. Simulations show that oxygen-loss is much more favorable in the ionic-doped system than undoped BaTiO3 due to the unique local structure created around the defect site. These findings resolve the so-called “donor-doping” anomaly in BaTiO3 and explain the source of semiconductivity in positive temperature coefficient of resistance (PTCR) BaTiO3 thermistors.
Citation
Freeman , C L , Dawson , J A , Chen , H-R , Ben , L , Harding , J H , Morrison , F D , Sinclair , D C & West , A R 2013 , ' Energetics of donor-doping, metal vacancies, and oxygen-loss in A-site Rare-Earth-doped BaTiO 3 ' , Advanced Functional Materials , vol. 23 , no. 31 , pp. 3925-3928 . https://doi.org/10.1002/adfm.201203147
Publication
Advanced Functional Materials
Status
Peer reviewed
DOI
https://doi.org/10.1002/adfm.201203147
ISSN
1616-301X
Type
Journal article
Rights
Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. This work has been made available online in accordance with publisher policies or with permission. Permission for further reuse of this content should be sought from the publisher or the rights holder. This is the author created accepted manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at https://doi.org/10.1002/adfm.201203147
Collections
  • University of St Andrews Research
URI
http://hdl.handle.net/10023/24880

Items in the St Andrews Research Repository are protected by copyright, with all rights reserved, unless otherwise indicated.

Advanced Search

Browse

All of RepositoryCommunities & CollectionsBy Issue DateNamesTitlesSubjectsClassificationTypeFunderThis CollectionBy Issue DateNamesTitlesSubjectsClassificationTypeFunder

My Account

Login

Open Access

To find out how you can benefit from open access to research, see our library web pages and Open Access blog. For open access help contact: openaccess@st-andrews.ac.uk.

Accessibility

Read our Accessibility statement.

How to submit research papers

The full text of research papers can be submitted to the repository via Pure, the University's research information system. For help see our guide: How to deposit in Pure.

Electronic thesis deposit

Help with deposit.

Repository help

For repository help contact: Digital-Repository@st-andrews.ac.uk.

Give Feedback

Cookie policy

This site may use cookies. Please see Terms and Conditions.

Usage statistics

COUNTER-compliant statistics on downloads from the repository are available from the IRUS-UK Service. Contact us for information.

© University of St Andrews Library

University of St Andrews is a charity registered in Scotland, No SC013532.

  • Facebook
  • Twitter