Atomic and electronic structure of the Si/SrTiO3 interface

X. Zhang; A. Demkov; Hao Li; X. Hu; Yi Wei; J. Kulik

doi:10.1103/PhysRevB.68.125323

Atomic and electronic structure of the Si/SrTiO₃ interface

X. Zhang, A. Demkov, Hao Li, X. Hu, Yi Wei, J. Kulik

Research output: Contribution to journal › Article › peer-review

127 Scopus citations

Abstract

We predict theoretically the wetting conditions for the layer-by-layer growth of thin SrTiO₃ (STO) films on Si. The result is in agreement with our recent experiments. The state of the art band offset calculations identify two different possibilities for the band alignment at the Si-STO interface. A very small conduction band offset is predicted for the structure without the chemically induced localization at the interface, and a 0.9 eV conduction band offset is predicted for the structure with chemically induced localized interface states.

Original language	English (US)
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	68
Issue number	12
DOIs	https://doi.org/10.1103/PhysRevB.68.125323
State	Published - 2003
Externally published	Yes

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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abstract = "We predict theoretically the wetting conditions for the layer-by-layer growth of thin SrTiO3 (STO) films on Si. The result is in agreement with our recent experiments. The state of the art band offset calculations identify two different possibilities for the band alignment at the Si-STO interface. A very small conduction band offset is predicted for the structure without the chemically induced localization at the interface, and a 0.9 eV conduction band offset is predicted for the structure with chemically induced localized interface states.",

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AU - Zhang, X.

AU - Demkov, A.

AU - Li, Hao

AU - Hu, X.

AU - Wei, Yi

AU - Kulik, J.

PY - 2003

Y1 - 2003

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AB - We predict theoretically the wetting conditions for the layer-by-layer growth of thin SrTiO3 (STO) films on Si. The result is in agreement with our recent experiments. The state of the art band offset calculations identify two different possibilities for the band alignment at the Si-STO interface. A very small conduction band offset is predicted for the structure without the chemically induced localization at the interface, and a 0.9 eV conduction band offset is predicted for the structure with chemically induced localized interface states.

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Atomic and electronic structure of the Si/SrTiO₃ interface

Abstract

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