Growth and structural properties of crystalline LaAlO3 on Si (001)

Reiner, J. W.; Posadas, Agham; Wang, M.; P., T.; Ahn, Charles

doi:10.1016/j.mee.2007.07.004

Cited by 21 publications

(8 citation statements)

References 10 publications

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“…By exploiting the sensitivity of the ground state properties of the CMR manganites to charge, we showed that large, charge-driven, magnetoelectric coupling in PZT/LSMO multiferroic heterostructures can be achieved. The effect is electronic in origin, as demonstrated by advanced spectroscopic techniques, and is therefore compatible with current CMOS technology, in particular since the growth of crystalline oxides on Si(001) is now well established McKee et al (1998;; Reiner et al (2008). Further, we show that both the spin state and the magnetic configuration can be controlled electrostatically.…”

Section: Discussionsupporting

confidence: 69%

Ferroelectric Field Effect Control of Magnetism in Multiferroic Heterostructures

Vaz¹,

Ahn²

2011

Ferroelectrics - Physical Effects

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Section: Discussionsupporting

confidence: 69%

Ferroelectric Field Effect Control of Magnetism in Multiferroic Heterostructures

Vaz¹,

Ahn²

2011

Ferroelectrics - Physical Effects

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“…Because each layer in the AO (001) terminations of the A II B IV O3-type compounds (A = Ba, Sr, Pb; B = Ti, Zr) 52−56 is neutral, the repeat stacking of such layers results in a non-polar surface, and their insulating characteristics are thus reserved.For the AlO2 (001) termination, we can also observe a remarkable difference in the SDOSs(Figure 2b) from the bulk crystal(Figure 2d), i.e., a new peak above the Fermi level appears. The PDOSs(Figure 2b) further identified that the empty valence states originate mainly from the 2p contribution of the O atoms in the outmost layer 10. …”

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confidence: 83%

First-Principles Investigation of the Electronic Properties and Stabilities of the LaAlO₃ (001) and (110) (1 × 1) Polar Terminations

Chen

et al. 2015

J. Phys. Chem. C

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The first-principles thermodynamics characterization of the stabilities and electronic properties of the LaAlO3 (001) and (110) polar surfaces was systematically performed using density functional theory methods. Two types of polar surfaces, including the terminations along the (001) orientation (the LaO-and AlO2-terminated surfaces) and (110) orientation (the LaAlO-, O2-, La-, AlO-, and O-terminated surfaces),were considered in this study. The computational results of the charge redistributions and geometries confirm that the electronic structure change and surface reconstruction should be responsible for the cancellation of the macroscopic dipole moments of these polar terminations, which stabilizes them. The charge neutralization can also be achieved by the charge redistribution of surface atoms. Furthermore, using the surface grand potential method, in which the effect of the chemical environment on surface stability is considered, we constructed the stability phase diagram of the LaAlO3 (001) and (110) polar surfaces. The results indicate that only the O (110), LaO (001) and AlO2 (001) terminations have corresponding stability domains and can be considered targets in further experimental investigations.

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“…Figures 2a-c show variations of the composition that would be expected, assuming no atomic rearrangements, based on the layer-by-layer growth procedure from Refs. 24 . In Fig.…”

Section: Interface Structures and Compositionsmentioning

confidence: 99%

Interface structure and film polarization in epitaxial SrTiO3/Si(001)

Kolpak

Ismail‐Beigi

2012

Phys. Rev. B

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Phenomenological models suggest that thin epitaxial SrTiO3 films on silicon will exhibit ferroelectric behavior as a result of compressive strain. However, such models do not include atomic-scale interface effects, which can dramatically alter the predicted behavior. In this paper, we use density functional theory computations to systematically elucidate the effects of the interface atomic structure and composition on the properties of SrTiO3/Si heterostructures. We show that while the band alignment and metallicity of the heterostructure are highly sensitive to the chemical composition and geometry of the interface, the system also exhibits several important features that are universal to all compositions. These universal features, which include an electronic dipole across the interface and a large cation-oxygen displacement in the interfacial oxide layer, conspire to induce a net positive polarization in ultrathin SrTiO3 films. We demonstrate that, due to its origin in the chemical bonds at the interface, this polarization is pinned in a single direction. Our results provide a fundamental understanding of the important role played by interfacial chemical bonds within the general class of atomically abrupt, oxide-semiconductor heterostructures and, furthermore, suggest guidelines for the future design of coupled functional oxide-semiconductor devices.

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Growth and structural properties of crystalline LaAlO3 on Si (001)

Cited by 21 publications

References 10 publications

Ferroelectric Field Effect Control of Magnetism in Multiferroic Heterostructures

Ferroelectric Field Effect Control of Magnetism in Multiferroic Heterostructures

First-Principles Investigation of the Electronic Properties and Stabilities of the LaAlO₃ (001) and (110) (1 × 1) Polar Terminations

Interface structure and film polarization in epitaxial SrTiO3/Si(001)

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Growth and structural properties of crystalline LaAlO3 on Si (001)

Cited by 21 publications

References 10 publications

Ferroelectric Field Effect Control of Magnetism in Multiferroic Heterostructures

Ferroelectric Field Effect Control of Magnetism in Multiferroic Heterostructures

First-Principles Investigation of the Electronic Properties and Stabilities of the LaAlO3 (001) and (110) (1 × 1) Polar Terminations

Interface structure and film polarization in epitaxial SrTiO3/Si(001)

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First-Principles Investigation of the Electronic Properties and Stabilities of the LaAlO₃ (001) and (110) (1 × 1) Polar Terminations