Self-Trapping of the Si(111)-(2×1) Surface Exciton

Michael Rohlfing
Additional contact information
Michael Rohlfing: Universität Münster, Institut für Festkörpertheorie

A chapter in High Performance Computing in Science and Engineering ’02, 2003, pp 194-202 from Springer

Abstract: Abstract We discuss the localization of the surface exciton at the Si(111)-(2×1) surface due to self-trapping, which leads to a characteristic temperature-dependent linewidth of the optical response and to a significant Stokes shift of the luminescence. Self-trapping results in this case from a structural relaxation in the excited state, caused by the interplay between electronic and geometric degrees of freedom. The most significant contribution to this effect comes from one single geometric deformation mode which is driven by the internal electronic charge transfer in the self-trapped exciton. To study these mechanisms we employ computational ab-initio techniques designed for excited states (density-functional theory and many-body perturbation theory), combined with tight-binding representations that allows us to simulate enlarged supercells containing several thousand atoms.

Keywords: Structural Relaxation; Excited Electronic State; Onsite Energy; Surface Unit Cell; Exciton Spectrum (search for similar items in EconPapers)
Date: 2003
References: Add references at CitEc
Citations:

There are no downloads for this item, see the EconPapers FAQ for hints about obtaining it.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-642-59354-3_16

Ordering information: This item can be ordered from
http://www.springer.com/9783642593543

DOI: 10.1007/978-3-642-59354-3_16

Access Statistics for this chapter

More chapters in Springer Books from Springer
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().