Proceedings of the National Academy of Sciences · 2019 · 121 citations · 47 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsSolid State PhysicsCrystal Field TheoryElectronic Structure Of SolidsOxide SemiconductorsPerovskite MaterialsStrongly Correlated Electron SystemsComplex OxidesConductionConduction BandHeterostructuresNickelatesOxide Electronic StructureOxygen VacanciesPerovskite Oxide Semiconductors
Significance Oxygen vacancies and their associated electrons, ubiquitous in oxide materials, can lead to emergent phenomena. Control of these vacancies allows the manipulation and exploitation of such properties. Using an ultralow oxygen partial pressure environment, we are able to systematically control the oxygen vacancy concentration in thin films of rare-earth nickelates. We find that oxygen vacancies lead to strong carrier localization arising from Ni valence reduction to 2+, resulting in an increase of room-temperature electrical resistivity by several orders of magnitude while maintaining the perovskite structure throughout. The oxygen vacancies can be redistributed by electric fields, leading to analog resistance behavior.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17