Oxygen vacancy defects in Ta{sub 2}O{sub 5} showing long-range atomic re-arrangements

Journal Article · Mon Mar 17 00:00:00 EDT 2014 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4869553· OSTI ID:22257814

Guo, Yuzheng; Robertson, John ^[1]

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1. Engineering Department, Cambridge University, Cambridge CB2 1PZ (United Kingdom)

The structure, formation energy, and energy levels of the various oxygen vacancies in Ta{sub 2}O{sub 5} have been calculated using the λ phase model. The intra-layer vacancies give rise to unusual, long-range bonding rearrangements, which are different for each defect charge state. The 2-fold coordinated intra-layer vacancy is the lowest cost vacancy and forms a deep level 1.5 eV below the conduction band edge. The 3-fold intra-layer vacancy and the 2-fold inter-layer vacancy are higher cost defects, and form shallower levels. The unusual bonding rearrangements lead to low oxygen migration barriers, which are useful for resistive random access memory applications.

• OSTI ID: 22257814
• Journal Information: Applied Physics Letters, Vol. 104, Issue 11; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
BONDING
FORMATION HEAT
OXYGEN
TANTALUM OXIDES
VACANCIES