Oxygen vacancy migration in compressively strained SrTiO3

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[1] Al-Hamadany, Raied
[2] Goss, J.P.
[3] Briddon, P.R.
[4] Mojarad, Shahin A.
[5] Al-Hadidi, Meaad
[6] O'Neill, A.G.
[7] Rayson, M.J.
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Al-Hamadany, R. (r.a.s.al-hamadany@ncl.ac.uk) | 1600年 / American Institute of Physics Inc.卷 / 113期
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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; SrTiO 3 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. © 2013 American Institute of Physics;
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