Core-Level Photoelectron Spectroscopy Probing Local Strain at Silicon Surfaces and Interfaces

Details Core-Level Photoelectron Spectroscopy Probing Local Strain at Silicon Surfaces and Interfaces Core-Level Photoelectron Spectroscopy Probing Local Strain at Silicon Surfaces and Interfaces

2007-03-15

arxiv.org/abs/cond-mat/0703424v1

Physics

Condensed Matter

Materials Science

to appear in the Proceedings of the 28th International Conference on the Physics of Semiconductors (Vienna, Austria, July 24-2

Scientific paper

10.1063/1.2729743

Using a first-principles approach, we investigate the origin of the fine structure in Si 2$p$ photoelectron spectra at the Si(100)2$\times$1 surface and at the Si(100)-SiO$_2$ interface. Calculated and measured shifts show very good agreement for both systems. By using maximally localized Wannier functions, we provide an interpretation in which the effects due to the electronegativity of second nearest neighbor atoms and due to the local strain field are distinguished. Hence, in combination with accurate modeling, photoelectron spectroscopy can provide a direct measure of the strain field at the atomic scale.

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