High charge carrier density at the NaTaO3/SrTiO3 hetero-interface

Safdar Nazir, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

24 Scopus citations


The formation of a (quasi) two-dimensional electron gas between the band insulators NaTaO3 and SrTiO3 is studied by means of the full-potential linearized augmented plane-wave method of density functional theory. Optimization of the atomic positions points to only small changes in the chemical bonding at the interface. Both the p-type (NaO)−/(TiO2)0 and n-type (TaO2)+/(SrO)0 interfaces are found to be metallic with high charge carrier densities. The effects of O vacancies are discussed. Spin-polarized calculations point to the formation of isolated O 2pmagnetic moments, located in the metallic region of the p-type interface.
Original languageEnglish (US)
Pages (from-to)073102
JournalApplied Physics Letters
Issue number7
StatePublished - Aug 15 2011

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)


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