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Oxygen vacancy migration in compressively strained SrTiO3

Lookup NU author(s): Raied Al-Hamadany, Dr Jon Goss, Professor Patrick Briddon, Meaad Al-Hadidi, Professor Anthony O'Neill, Dr Mark Rayson

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Abstract

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]


Publication metadata

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

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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