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Albina, Jan-Michael; Mrovec, Matous; Meyer, Bernd; Elsässer, Christian

doi:10.1103/physrevb.76.165103

Cited by 88 publications

(79 citation statements)

References 66 publications

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“…The total energy was minimized with respect to internal coordinates of all atoms. The electronic structure of this interface, calculated using the PBE density functional, is similar to what has been reported previously by other groups [60,[71][72][73][74][75][76][77]. We show the total one-electron density of states (DOS) calculated for 1 and 3 u.c.…”

Section: The Ideal Tio 2 /Lao Interfacesupporting

confidence: 81%

Instability, intermixing and electronic structure at the epitaxial LaAlO3/SrTiO3

Chambers

Engelhard

Shutthanandan

et al. 2010

Surface Science Reports

288

221

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Section: The Ideal Tio 2 /Lao Interfacesupporting

confidence: 81%

Instability, intermixing and electronic structure at the epitaxial LaAlO3/SrTiO3

Chambers

Engelhard

Shutthanandan

et al. 2010

Surface Science Reports

288

221

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“…5,6) Relating to this issue, several electronic structure calculations have been performed. [7][8][9][10][11][12][13] We have clarified by first-principles calculations how electronic and ionic mechanisms play to screen the diverging potential for LAO/STO thin films and found that the free carrier density is only about 2 Â 10 13 /cm 2 being consistent with the experiment. 11) In the present study, we try to analyze further basic properties of the interface between LAO and STO by calculating spatial distribution of dielectric polarizability in LAO/STO superlattices for both [001] and [011] stackings.…”

Section: Introductionsupporting

confidence: 64%

First-Principles Study of Polarizability Distributions for LaAlO₃/SrTiO₃ Superlattices

Ishibashi

Terakura

2010

J. Phys. Soc. Jpn.

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We have investigated polarizability (up to the third order) distributions for LaAlO 3 (LAO)/SrTiO 3 (STO) superlattices by first-principles calculations for two different stackings, i.e., [011] and [001], in order to study the basic difference in the electronic structure between the cases with polar discontinuity ([001]) and without it ([011]). In contrast to the [011] stacking, there is strong asymmetry between the ntype interface and p-type one in the [001] stacking. The dependence of the calculated second order polarizability on the thickness of the supercell unit cell gives useful insight into the recent experimental data on the second harmonic generation. A unified explanation is also given to the striking difference in the electronic structure between isolated thin film and superlattice configurations.

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“…6,7 These properties of the 2DEG at oxide interfaces have stimulated significant research activity both in experiment [8][9][10][11][12][13] and in theory. [14][15][16][17][18][19][20] Recently it was found that at ultra-low temperatures the 2DEG occurring at the interface between the non-magnetic LaAlO 3 and SrTiO 3 materials may become magnetic. 21 This behavior was attributed to the exchange splitting of the induced electrons in the Ti-3d conduction band, which is corroborated by spin-polarized first principles calculations of LaAlO 3 /SrTiO 3 , 18,19 as well as LaTiO 3 /SrTiO 3 interfaces.…”

mentioning

confidence: 99%

Prediction of a spin-polarized two-dimensional electron gas at theLaAlO3/EuO(001)interface

et al. 2009

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First-principles calculations predict the existence of a spin-polarized two-dimensional electron gas (2DEG) at the LaO/EuO interface in a LaAlO 3 /EuO (001) heterostructure. This polar interface favors electron doping into the Eu-5d conduction bands resulting in a 2DEG formed at the interface. Due to the exchange splitting of the Eu-5d states the 2DEG is spin-polarized below the Curie temperature of EuO. The predicted mechanism for the formation of a spinpolarized 2DEG at the interface between polar and ferromagnetic insulators may provide a robust magnetism of the 2DEG which is interesting for spintronics applications. 75.70.Cn, 75.50.Dd, The field of research related to complex oxide materials has been developing vigorously in the last few decades. Oxides exhibit an abundance of macroscopic physical properties, often involving the interplay between magnetism, ferroelectricity, and conductivity.1 Even a more rich spectrum of physical phenomena occurs if two or more oxides are combined with atomic-scale precision in a heterostructure to form a new nanoscale material.2,3 Recent advances in thinfilm deposition and characterization techniques made possible the experimental realization of such oxide heterostructures, promising novel functionalities and device concepts. A prominent example is the recent discovery of the formation of a metallic phase at the interface between two oxide insulators, SrTiO 3 and LaAlO 3 . 4 It was found that this metallic phase is confined within a couple of nanometers near the interface 5 and therefore can be regarded as a two dimensional electron gas (2DEG). The 2DEG has a very high carrier density and a relatively high carrier mobility making it attractive for applications in nanoelectronics, e.g., as all-oxide field-effect transistors.6,7 These properties of the 2DEG at oxide interfaces have stimulated significant research activity both in experiment [8][9][10][11][12][13] and in theory. [14][15][16][17][18][19][20] Recently it was found that at ultra-low temperatures the 2DEG occurring at the interface between the non-magnetic LaAlO 3 and SrTiO 3 materials may become magnetic. 21 This behavior was attributed to the exchange splitting of the induced electrons in the Ti-3d conduction band, which is corroborated by spin-polarized first principles calculations of LaAlO 3 /SrTiO 3 , 18,19 as well as LaTiO 3 /SrTiO 3 interfaces. 16Making 2DEG gas spin-polarized is a very exciting prospect for spintronics applications, where the involvement of the spin degree of freedom broadens the spectrum of potential applications. 22 Very recently it was proposed that it may be possible to create a fully spin-polarized 2D electron gas by replacing one monolayer of SrO by LaO in SrMnO 3 . 23Here we pursue a different route to achieve a spinpolarized two-dimensional electron gas, by employing a ferromagnetic insulator as one of the constituents in the oxide heterostructure. Spin-polarized properties of the 2DEG are, in this case, expected to be inherited from the ferromagnetism of the oxide, and conseque...

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Structure, stability, and electronic properties ofSrTiO3∕LaAlO3and

Cited by 88 publications

References 66 publications

Instability, intermixing and electronic structure at the epitaxial LaAlO3/SrTiO3

Instability, intermixing and electronic structure at the epitaxial LaAlO3/SrTiO3

First-Principles Study of Polarizability Distributions for LaAlO₃/SrTiO₃ Superlattices

Prediction of a spin-polarized two-dimensional electron gas at theLaAlO3/EuO(001)interface

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Structure, stability, and electronic properties ofSrTiO3∕LaAlO3and

Cited by 88 publications

References 66 publications

Instability, intermixing and electronic structure at the epitaxial LaAlO3/SrTiO3

Instability, intermixing and electronic structure at the epitaxial LaAlO3/SrTiO3

First-Principles Study of Polarizability Distributions for LaAlO3/SrTiO3 Superlattices

Prediction of a spin-polarized two-dimensional electron gas at theLaAlO3/EuO(001)interface

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First-Principles Study of Polarizability Distributions for LaAlO₃/SrTiO₃ Superlattices