Publication

First-principles study of Si 2p core-level shifts at water and hydrogen covered Si(001)2x1 surfaces

Alfredo Pasquarello
1996
Journal Articles

Abstract

Using a first-principles approach, we study Si 2p core-level shifts at water and hydrogen covered Si(001)2 x 1 surfaces. After allowing for full relaxation of the surface structures, core-level shifts are calculated including core-hole relaxation effects. We find that dissociated water on the Si(001)2 x 1 surface induces a core-level shift of 1.1 eV to higher binding energies, in good agreement with experiment. In the case of the hydrogen terminated Si(001)2 x 1 surface, calculated surface shifts are small (about 0.2 eV) and comparable to shifts of subsurface Si atoms. (C) 1996 American Vacuum Society.

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https://infoscience.epfl.ch/entities/publication/9e4d3f0a-b917-405d-88a6-277c03c7dd08

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Alfredo Pasquarello
1996
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/9e4d3f0a-b917-405d-88a6-277c03c7dd08

About this result

Related concepts (32)

Silicon

Silicon is a chemical element with the symbol Si and atomic number 14. It is a hard, brittle crystalline solid with a blue-grey metallic luster, and is a tetravalent metalloid and semiconductor. It is a member of group 14 in the periodic table: carbon is above it; and germanium, tin, lead, and flerovium are below it. It is relatively unreactive. Because of its high chemical affinity for oxygen, it was not until 1823 that Jöns Jakob Berzelius was first able to prepare it and characterize it in pure form.

Surface (topology)

In the part of mathematics referred to as topology, a surface is a two-dimensional manifold. Some surfaces arise as the boundaries of three-dimensional solid figures; for example, the sphere is the boundary of the solid ball. Other surfaces arise as graphs of functions of two variables; see the figure at right. However, surfaces can also be defined abstractly, without reference to any ambient space. For example, the Klein bottle is a surface that cannot be embedded in three-dimensional Euclidean space.

Riemann surface

In mathematics, particularly in complex analysis, a Riemann surface is a connected one-dimensional complex manifold. These surfaces were first studied by and are named after Bernhard Riemann. Riemann surfaces can be thought of as deformed versions of the complex plane: locally near every point they look like patches of the complex plane, but the global topology can be quite different. For example, they can look like a sphere or a torus or several sheets glued together.

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