Atomic and electronic structure of theinterface
- 26 September 2003
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 68 (12) , 125323
- https://doi.org/10.1103/physrevb.68.125323
Abstract
We predict theoretically the wetting conditions for the layer-by-layer growth of thin (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.
Keywords
This publication has 22 references indexed in Scilit:
- The interface of epitaxial SrTiO3 on silicon: in situ and ex situ studiesApplied Physics Letters, 2003
- Critical issues in the heteroepitaxial growth of alkaline-earth oxides on siliconJournal of Vacuum Science & Technology A, 2002
- Physical Structure and Inversion Charge at a Semiconductor Interface with a Crystalline OxideScience, 2001
- High-κ gate dielectrics: Current status and materials properties considerationsJournal of Applied Physics, 2001
- Band offsets of wide-band-gap oxides and implications for future electronic devicesJournal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, 2000
- Electronic structure, properties, and phase stability of inorganic crystals: A pseudopotential plane-wave studyInternational Journal of Quantum Chemistry, 2000
- Field effect transistors with SrTiO3 gate dielectric on SiApplied Physics Letters, 2000
- Schottky barrier heights of tantalum oxide, barium strontium titanate, lead titanate, and strontium bismuth tantalateApplied Physics Letters, 1999
- Crystalline Oxides on Silicon: The First Five MonolayersPhysical Review Letters, 1998
- Ab initiomolecular dynamics for liquid metalsPhysical Review B, 1993