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Vacancy induced metallicity at the CaHfO3 SrTiO3 interface.pdf
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ArticleKAUST Department
Computational Physics and Materials Science (CPMS)Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2011-04-01Online Publication Date
2011-04-01Print Publication Date
2011-03-28Permanent link to this record
http://hdl.handle.net/10754/315751
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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.Citation
Nazir S, Pulikkotil JJ, Singh N, Schwingenschlögl U (2011) Vacancy induced metallicity at the CaHfO[sub 3]/SrTiO[sub 3] interface. Appl Phys Lett 98: 133114. doi:10.1063/1.3573808.Publisher
AIP PublishingJournal
Applied Physics Lettersae974a485f413a2113503eed53cd6c53
10.1063/1.3573808