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Lookup NU author(s): Raied Al-Hamadany, Professor Jon Goss, Professor Patrick Briddon, Meaad Al-Hadidi, Professor Anthony O'Neill, Dr Mark Rayson
The intrinsic properties of strontium titanate render it promising in applications such as gate dielectrics and capacitors. However, there is growing evidence that oxygen vacancies significantly impact upon its use, with the diffusion and deep donor level of the oxygen vacancy leading to electrical leakage. Where grown epitaxially on a lattice mismatched substrate, SrTiO3 undergoes bi-axial strain, altering its crystal structure and electronic properties. In this paper, we present the results of first-principles simulations to evaluate the impact of strain in a (001) plane upon the migration of oxygen vacancies. We show that in the range of strains consistent with common substrate materials, diffusion energies in different directions are significantly affected, and for high values of strain may be altered by as much as a factor of two. The resulting diffusion anisotropy is expected to impact upon the rate at which oxygen vacancies are injected into the films under bias, a critical factor in the leakage and resistive switching seen in this material. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4775397]
Author(s): Al-Hamadany R, Goss JP, Briddon PR, Mojarad SA, Al-Hadidi M, O'Neill AG, Rayson MJ
Publication type: Article
Publication status: Published
Journal: Journal of Applied Physics
Year: 2013
Volume: 113
Issue: 2
Print publication date: 01/01/2013
Date deposited: 29/07/2014
ISSN (print): 0021-8979
ISSN (electronic): 1089-7550
Publisher: American Institute of Physics
URL: http://dx.doi.org/10.1063/1.4775397
DOI: 10.1063/1.4775397
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