Energetics of Intrinsic Defects in the Resistive Random Access Memory Material NiO
Applied Physics Letters
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Dawson, J., Guo, Y., & Robertson, J. (2015). Energetics of Intrinsic Defects in the Resistive Random Access Memory Material NiO. Applied Physics Letters, 107 (122110)https://doi.org/10.1063/1.4931751
Energetics for a variety of intrinsic defects in NiO are calculated using state-of-the-art ab initio hybrid density functional theory calculations. At the O-rich limit, Ni vacancies are the lowest cost defect for all Fermi energies within the gap, in agreement with the well-known p-type behaviour of NiO. However, the ability of the metal electrode in a resistive random access memory metal-oxide-metal setup to shift the oxygen chemical potential towards the O-poor limit results in unusual NiO behaviour and O vacancies dominating at lower Fermi energy levels. Calculated band diagrams show that O vacancies in NiO are positively charged at the operating Fermi energy giving it the advantage of not requiring a scavenger metal layer to maximise drift. Ni and O interstitials are generally found to be higher in energy than the respective vacancies suggesting that significant recombination of O vacancies and interstitials does not take place as proposed in some models of switching behaviour.
The authors thank the Engineering and Physical Sciences Research Council for funding from EPSRC Grant No. EP/M009297.
External DOI: https://doi.org/10.1063/1.4931751
This record's URL: https://www.repository.cam.ac.uk/handle/1810/253626
Attribution-NonCommercial 2.0 UK: England & Wales
Licence URL: http://creativecommons.org/licenses/by-nc/2.0/uk/
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