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Association of oxygen vacancies with carbon impurity in strontium titanate: first principles calculations

Lookup NU author(s): Meaad Al-Hadidi, Professor Jon GossORCiD, Professor Patrick Briddon, Raied Al-Hamadany, Mariam Ahmed, Dr Mark RaysonORCiD

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Abstract

Strontium titanate has attracted both experimental and theoretical attention due to its high permittivity. Different growth methods yield various qualities of material, and thin-films grown using organic precursors lead to a high probability of carbon contamination. A defect attracting a great deal of attention in this material is the oxygen vacancy, mainly due to its mobility and electrical donor properties. This study presents density functional calculations of carbon substituting for titanium binding an oxygen vacancy in a near-by site.

Publication metadata

Author(s): Al-Hadidi M, Goss JP, Briddon PR, Al-hamadany R, Ahmed M, Rayson MJ

Publication type: Article

Publication status: Published

Journal: Ferroelectrics

Year: 2016

Volume: 497

Issue: 1

Pages: 9-14

Online publication date: 05/05/2016

Acceptance date: 12/11/2015

ISSN (print): 0015-0193

ISSN (electronic): 1563-5112

Publisher: Taylor & Francis

URL: http://dx.doi.org/10.1080/00150193.2016.1160469

DOI: 10.1080/00150193.2016.1160469

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