Polar discontinuity governs surface segregation and interface termination: A case study of 
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Zupancic, Martina; Aggoune, Wahib; Gloter, Alexandre; Hoffmann, Georg; Schmidt, Franz-Philipp; Galazka, Zbigniew; Pfützenreuter, Daniel; Riaz, Aysha A.; Schlueter, Christoph; Amari, Houari; Regoutz, Anna; Schwarzkopf, Jutta; Lunkenbein, Thomas; Bierwagen, Oliver; Draxl, Claudia; Albrecht, Martin

doi:10.1103/physrevmaterials.8.034602

Phys. Rev. Materials

2024

DOI: 10.1103/physrevmaterials.8.034602

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Polar discontinuity governs surface segregation and interface termination: A case study of LaInO3/BaSnO3

Martina Zupancic,

Wahib Aggoune,

Alexandre Gloter

et al.

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Cited by 3 publications

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Enabling 2D Electron Gas with High Room‐Temperature Electron Mobility Exceeding 100 cm² Vs⁻¹ at a Perovskite Oxide Interface

Hoffmann,

Zupancic,

Riaz

et al. 2024

Advanced Materials

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In perovskite oxide heterostructures, bulk functional properties coexist with emergent physical phenomena at epitaxial interfaces. Notably, charge transfer at the interface between two insulating oxide layers can lead to the formation of a 2D electron gas (2DEG) with possible applications in, e.g., high‐electron‐mobility transistors and ferroelectric field‐effect transistors. So far, the realization of oxide 2DEGs is, however, largely limited to the interface between the single‐crystal substrate and epitaxial film, preventing their deliberate placement inside a larger device architecture. Additionally, the substrate‐limited quality of perovskite oxide interfaces hampers room‐temperature (RT) 2DEG performance due to notoriously low electron mobility. In this work, the controlled creation of an interfacial 2DEG at the epitaxial interface between perovskite oxides BaSnO3 and LaInO3 is demonstrated with enhanced RT electron mobility values up to 119 cm2 Vs−1—the highest RT value reported so far for a perovskite oxide 2DEG. Using a combination of state‐of‐the‐art deposition modes during oxide molecular beam epitaxy, this approach opens up another degree of freedom in optimization and in situ control of the interface between two epitaxial oxide layers away from the substrate interface. Thus this approach is expected to apply to the general class of perovskite oxide 2DEG systems and to enable their improved compatibility with novel device concepts and integration across materials platforms.

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Enabling 2D Electron Gas with High Room‐Temperature Electron Mobility Exceeding 100 cm² Vs⁻¹ at a Perovskite Oxide Interface

Hoffmann,

Zupancic,

Riaz

et al. 2024

Advanced Materials

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First-Principles Study of Dominant Surface Terminations on BaSnO₃ (001) Surface: Implications for Precise Control of Semiconductor Thin Films

Li,

Wang,

Huang

et al. 2024

ACS Appl. Nano Mater.

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BaSnO3 thin films have attracted significant attention due to their exceptional properties, specifically high electron mobility at room temperature, for optoelectronic applications, such as pn diodes and field-effect transistors. However, the dominant surface terminations of these films, particularly their dependence on growth conditions and water leaching, remain elusive. Here, we studied the impacts of growth conditions and water leaching on the dominant surface terminations of BaSnO3 thin films by modeling oxygen vacancies and water adsorption using first-principles calculations. Our calculations show that, in the BaSnO3 model without oxygen vacancies (corresponding to an oxygen-rich condition), the required cleavage energy to remove the surface SnO2 (BaO·H2O) layer is lower than that required to remove the BaO (SnO2·H2O) layer. This implies that BaSnO3 thin films subjected to O2 annealing display a Ba-excess surface without H2O leaching, whereas they have a Sn-excess surface with H2O leaching. In contrast, the calculated results for the BaSnO3 model with oxygen vacancies (corresponding to an oxygen-deficient condition) show that the required cleavage energy to remove the surface SnO2 (SnO2·H2O) layer is less than that required to remove the BaO (BaO·H2O) layer, suggesting that BaSnO3 thin films prepared under oxygen-deficient conditions should exhibit Ba-excess surfaces regardless of H2O leaching. This study offers useful insights into achieving precise control over the surface properties of BaSnO3 films.

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Effects of polar discontinuities and stacking sequences on ferromagnetic properties at La0.67Sr0.33MnO3/SrCuO2 interfaces

Zhang,

Huang,

Cui

et al. 2024

Applied Physics Letters

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Polar discontinuities occur in oxide heterostructures due to varying net charges in the sub-unit cell layers. These polar discontinuities lead to structural reconstruction and often create diverse functionalities. This work constructs polar discontinuous in La0.67Sr0.33MnO3/SrCuO2 (LSMO/SCO) heterostructures on a (001)-orientated SrTiO3 (STO) substrate under different configurations. By changing the growth order of LSMO and SCO, we found two different compensating mechanisms for polar discontinuity. When LSMO is grown on SCO, interfacial polarity discontinuities result in the generation of a large number of oxygen vacancies within the LSMO film. Thus, the LSMO magnetism deteriorates. For the SCO/LSMO/SCO trilayer, the SCO capping layer can recover the LSMO magnetism. The scanning transmission electron microscope results show an atomic reconstruction at the SCO-on-LSMO interface and several oxygen vacancies at the SrO sublayer. The interface reconfiguration releases the polar energy, thereby inhibiting the generation of oxygen vacancies and improving the ferromagnetism of the LSMO film. Our work studies the impact of polar discontinuity at the interface, providing insights into the effects of interface polar discontinuities on functional materials.

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Polar discontinuity governs surface segregation and interface termination: A case study of LaInO3/BaSnO3

Cited by 3 publications

References 46 publications

Enabling 2D Electron Gas with High Room‐Temperature Electron Mobility Exceeding 100 cm² Vs⁻¹ at a Perovskite Oxide Interface

Enabling 2D Electron Gas with High Room‐Temperature Electron Mobility Exceeding 100 cm² Vs⁻¹ at a Perovskite Oxide Interface

First-Principles Study of Dominant Surface Terminations on BaSnO₃ (001) Surface: Implications for Precise Control of Semiconductor Thin Films

Effects of polar discontinuities and stacking sequences on ferromagnetic properties at La0.67Sr0.33MnO3/SrCuO2 interfaces

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Polar discontinuity governs surface segregation and interface termination: A case study of LaInO3/BaSnO3

Cited by 3 publications

References 46 publications

Enabling 2D Electron Gas with High Room‐Temperature Electron Mobility Exceeding 100 cm2 Vs−1 at a Perovskite Oxide Interface

Enabling 2D Electron Gas with High Room‐Temperature Electron Mobility Exceeding 100 cm2 Vs−1 at a Perovskite Oxide Interface

First-Principles Study of Dominant Surface Terminations on BaSnO3 (001) Surface: Implications for Precise Control of Semiconductor Thin Films

Effects of polar discontinuities and stacking sequences on ferromagnetic properties at La0.67Sr0.33MnO3/SrCuO2 interfaces

Contact Info

Product

Resources

About

Enabling 2D Electron Gas with High Room‐Temperature Electron Mobility Exceeding 100 cm² Vs⁻¹ at a Perovskite Oxide Interface

Enabling 2D Electron Gas with High Room‐Temperature Electron Mobility Exceeding 100 cm² Vs⁻¹ at a Perovskite Oxide Interface

First-Principles Study of Dominant Surface Terminations on BaSnO₃ (001) Surface: Implications for Precise Control of Semiconductor Thin Films