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

Dawson, JA and Guo, Y and Robertson, J (2015) Energetics of intrinsic defects in NiO and the consequences for its resistive random access memory performance. Applied Physics Letters, 107. ISSN 0003-6951

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Abstract

© 2015 AIP Publishing LLC. 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.

Item Type: Article
Subjects: UNSPECIFIED
Divisions: Div B > Electronics, Power & Energy Conversion
Div B > Solid State Electronics and Nanoscale Science
Depositing User: Cron Job
Date Deposited: 17 Jul 2017 19:29
Last Modified: 21 Sep 2017 01:39
DOI: