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Title: Oxygen vacancies at the surface of SrTiO{sub 3} thin films

The two-dimensional electron gas (2DEG) observed at the surface of oxide thin films and at the interface between two oxides has been widely discussed, but the mechanism responsible for this behavior is still not well understood. In this work, we study the properties of the SrTiO{sub 3} (001) surface and show that defects are necessary in order to explain this 2DEG. We study the properties of oxygen vacancies at the TiO{sub 2} and SrO terminated surface, and conclude they can explain the metallic behavior experimentally observed. There is a strong tendency for these vacancies to be localized at the surface, where the formation energy is less than 2.92 eV.
Authors:
 [1] ;  [2] ;  [3]
  1. Colegiado de Engenharia Mecânica, Universidade Federal do Vale do São Francisco, 48902-300 Juazeiro, BA (Brazil)
  2. (Brazil)
  3. Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, SP (Brazil)
Publication Date:
OSTI Identifier:
22275749
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 3; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ELECTRON GAS; FORMATION HEAT; INTERFACES; OXYGEN; STRONTIUM OXIDES; STRONTIUM TITANATES; SURFACES; THIN FILMS; TITANIUM OXIDES; TWO-DIMENSIONAL CALCULATIONS; VACANCIES