How the aggregation of oxygen vacancies in rutile based TiO$_{2-��}$ phases causes memristive behavior
| Autor: | Heckel, Wolfgang, Wehlau, Michael, Maisel, Sascha B., Frauenheim, Thomas, Knaup, Jan M., M��ller, Stefan |
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| Rok vydání: | 2015 |
| Předmět: | |
| DOI: | 10.48550/arxiv.1509.08412 |
| Popis: | The results of a comprehensive and systematic ab-initio based ground-state search for the structural arrangement of oxygen vacancies in rutile phase TiO$_2$ provide new insights into their memristive properties. We find that O vacancies tend to form planar arrangements which relax into structures exhibiting metallic behavior. These meta-stable arrangements are structurally akin to, yet distinguishable from the Magn��li phase. They exhibit a more pronounced metallic nature, but are energetically less favorable. Our results confirm a clear structure-property relationship between segregated oxygen vacancy arrangement and metallic behavior in reduced oxides. 6 pages, 5 figures, corrected typos, enhanced phrasing and clarity |
| Databáze: | OpenAIRE |
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