Properties of the In{sub 2}O{sub 3}-Si interface: An ab initio study of a model geometry

Journal Article · Thu May 15 00:00:00 EDT 2014 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4878271· OSTI ID:22280312

Höffling, Benjamin; Bechstedt, Friedhelm ^[1]

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1. Institut für Festkörpertheorie und -optik, Friedrich-Schiller-Universität and European Theoretical Spectroscopy Facility (ETSF), Max-Wien-Platz 1, 07743 Jena (Germany)

The In{sub 2}O{sub 3}(001)-Si(001) heterojunction is studied by means of the ab initio density functional theory, quasiparticle corrections, and the supercell method. We construct a model interface based on the idea of a coincidence lattice, only Si-O interface bonds and biaxially strained In{sub 2}O{sub 3}. The properties of the interface and their consequences for the junction are mainly described in terms of electronic band levels and charge redistribution. The results indicate a type II heterostructure caused by interface dipole alteration due to electron rearrangements.

• OSTI ID: 22280312
• Journal Information: AIP Conference Proceedings, Vol. 1598, Issue 1; Conference: LDSD 2011: 7. international conference on low dimensional structures and devices, Telchac (Mexico), 22-27 May 2011; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CORRECTIONS
CRYSTAL STRUCTURE
DENSITY FUNCTIONAL METHOD
DIPOLES
ELECTRONIC STRUCTURE
ELECTRONS
HETEROJUNCTIONS
INDIUM OXIDES
INTERFACES
SILICON
STRAINS