Atomic and electronic structure of the <span class="aps-inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><msub><mrow><mi mathvariant="normal">S</mi><mi mathvariant="normal">i</mi><mo>/</mo><mi mathvariant="normal">S</mi><mi mathvariant="normal">r</mi><mi mathvariant="normal">T</mi><mi mathvariant="normal">i</mi><mi mathvariant="normal">O</mi></mrow><mrow><mn>3</mn></mrow></msub></mrow></math></span> interface

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

doi:10.1103/PhysRevB.68.125323

Atomic and electronic structure of the ${S i / S r T i O}_{3}$ interface

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

Phys. Rev. B 68, 125323 – Published 26 September 2003

Abstract

We predict theoretically the wetting conditions for the layer-by-layer growth of thin ${SrTiO}_{3}$ (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.

Received 13 May 2003

DOI:https://doi.org/10.1103/PhysRevB.68.125323

Authors & Affiliations

X. Zhang, A. A. Demkov^*, Hao Li, X. Hu, and Yi Wei

Physical Sciences Research Laboratories, Motorola Inc., 7700 S. River Parkway, Tempe, Arizona 85284, USA

J. Kulik

Semiconductor Products Sector, Motorola, Inc., 2100 East Elliot Road, Tempe, Arizona 85284, USA

^*e-mail address: alex.demkov@motorola.com

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Vol. 68, Iss. 12 — 15 September 2003

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Physical Review B

covering condensed matter and materials physics