Physical review. B./Physical review. B · 2017 · 43 citations · 45 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsCrystal StructureMaterials PhysicsAb Initio MethodsDefects In Electronic MaterialsPerovskite MaterialsPhotoelectron SpectroscopySurface PhysicsX-ray Photoelectron SpectroscopyAb Initio CalculationsDefect EngineeringElectron DonorsMobility EnhancementOxygen VacanciesOxygen Vacancy FormationPerovskite OxidesTwo-dimensional Electron Systems
The spinel/perovskite heterointerface $\ensuremath{\gamma}\ensuremath{-}{\mathrm{Al}}_{2}{\mathrm{O}}_{3}/{\mathrm{SrTiO}}_{3}$ hosts a two-dimensional electron system (2DES) with electron mobilities exceeding those in its all-perovskite counterpart ${\mathrm{LaAlO}}_{3}/{\mathrm{SrTiO}}_{3}$ by more than an order of magnitude, despite the abundance of oxygen vacancies which act as electron donors as well as scattering sites. By means of resonant soft x-ray photoemission spectroscopy and ab initio calculations, we reveal the presence of a sharply localized type of oxygen vacancies at the very interface due to the local breaking of the perovskite symmetry. We explain the extraordinarily high mobilities by reduced scattering resulting from the preferential formation of interfacial oxygen vacancies and spatial separation of the resulting 2DES in deeper ${\mathrm{SrTiO}}_{3}$ layers. Our findings comply with transport studies and pave the way towards defect engineering at interfaces of oxides with different crystal structures.
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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
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