Publication

Electronic properties of an epitaxial silicon oxynitride layer on a 6H-SiC(0001) surface: A first-principles investigation

Alfredo Pasquarello
2007
Journal Articles

Abstract

Using a density functional scheme, the authors investigate the electronic properties of an epitaxial silicon oxynitride layer on a 6H-SiC(0001) surface, as recently realized experimentally. Simulated scanning-tunneling-microscopy images of filled and empty states agree well with the experiment, lending support to the proposed atomic structure. In accord with the experiment, the local density of states indicates that the electronic band gap in the thin silicate layer at the surface is close to that of bulk SiO2. The authors show that this effect results from the surface of the epitaxial adlayer acting as a high-barrier potential for the SiC states induced in the oxide band gap.

Official source

https://infoscience.epfl.ch/entities/publication/e8d22e4f-4baa-4c20-8764-5d34cd5b98b0

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Alfredo Pasquarello
2007
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/e8d22e4f-4baa-4c20-8764-5d34cd5b98b0

About this result

Related concepts (32)

Band gap

In solid-state physics and solid-state chemistry, a band gap, also called a bandgap or energy gap, is an energy range in a solid where no electronic states exist. In graphs of the electronic band structure of solids, the band gap refers to the energy difference (often expressed in electronvolts) between the top of the valence band and the bottom of the conduction band in insulators and semiconductors. It is the energy required to promote an electron from the valence band to the conduction band.

Density of states

In solid-state physics and condensed matter physics, the density of states (DOS) of a system describes the number of modes per unit frequency range. The density of states is defined as , where is the number of states in the system of volume whose energies lie in the range from to . It is mathematically represented as a distribution by a probability density function, and it is generally an average over the space and time domains of the various states occupied by the system.

Electronic band structure

In solid-state physics, the electronic band structure (or simply band structure) of a solid describes the range of energy levels that electrons may have within it, as well as the ranges of energy that they may not have (called band gaps or forbidden bands). Band theory derives these bands and band gaps by examining the allowed quantum mechanical wave functions for an electron in a large, periodic lattice of atoms or molecules.

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Electronic properties of an epitaxial silicon oxynitride layer on a 6H-SiC(0001) surface: A first-principles investigation

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