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Energetics of intrinsic defects in NiO and the consequences for its resistive random access memory performance

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Dawson, JA 
Guo, Y 
Robertson, J 


jats:pEnergetics 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.</jats:p>



51 Physical Sciences

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Applied Physics Letters

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AIP Publishing
Engineering and Physical Sciences Research Council (EP/M009297/1)
The authors thank the Engineering and Physical Sciences Research Council for funding from EPSRC Grant No. EP/M009297.