Vacancy induced metallicity at the CaHfO3 / SrTiO3 interface

S. Nazir, J. J. Pulikkotil, N. Singh, U. Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

18 Scopus citations


Density functional theory is used to study the electronic properties of the oxide heterointerface CaHfO3 / 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 insulators CaHfO3 and SrTiO 3 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 languageBritish English
Article number133114
JournalApplied Physics Letters
Issue number13
StatePublished - 28 Mar 2011


Dive into the research topics of 'Vacancy induced metallicity at the CaHfO3 / SrTiO3 interface'. Together they form a unique fingerprint.

Cite this