Vacancy induced metallicity at the CaHfO3/SrTiO3 interface

Safdar Nazir, Jiji Thomas Joseph Pulikkotil, Udo Schwingenschlögl, Nirpendra Singh

Research output: Contribution to journalArticlepeer-review

15 Scopus citations

Abstract

Density functional theory is used to study the electronic properties of the oxide heterointerfaceCaHfO3/SrTiO3. Structural relaxation is carried out with and without O vacancies. As compared to related interfaces, strongly reduced octahedral distortions are found. Stoichiometric interfaces between the wide band gap insulatorsCaHfO3 and SrTiO3 turn out to exhibit an insulating state. However, interface metallicity is introduced by O vacancies, in agreement with experiment. The reduced octahedral distortions and necessity of O deficiency indicate a less complicated mechanism for the creation of the interfacial electron gas.
Original languageEnglish (US)
Pages (from-to)133114
JournalApplied Physics Letters
Volume98
Issue number13
DOIs
StatePublished - Apr 1 2011

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

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