Optical Response of Semiconductor Surfaces and Molecules Calculated from First Principles

W. Gero Schmidt (), Martin Preuß, Patrick H. Hahn, Kaori Seino and Friedhelm Bechstedt
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W. Gero Schmidt: Friedrich-Schiller-Universität, Computational Materials Science Group
Martin Preuß: Friedrich-Schiller-Universität, Computational Materials Science Group
Patrick H. Hahn: Friedrich-Schiller-Universität, Computational Materials Science Group
Kaori Seino: Friedrich-Schiller-Universität, Computational Materials Science Group
Friedhelm Bechstedt: Friedrich-Schiller-Universität, Computational Materials Science Group

A chapter in High Performance Computing in Science and Engineering, Munich 2002, 2003, pp 259-268 from Springer

Abstract: Abstract First-principles pseudopotential calculations on the optical anisotropy of GaAs(OOl) surfaces and on the optical absorption of of DNA base molecules are presented. It is found that both electronic surface states as well as surface-perturbed bulk wave functions contribute to the optical anisotropy of GaAs(OOl). The latter contributions are modified by surface electric fields, giving rise to signals which are both reconstruction and electric field dependent. Pronounced differences in the absorption behavior of the DNA base molecules suggest the possibility of a base discrimination by means of single molecule spectroscopy.

Keywords: Surface Reconstruction; Semiconductor Surface; Optical Anisotropy; GaAs Surface; Electronic Surface State (search for similar items in EconPapers)
Date: 2003
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-642-55526-8_22

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DOI: 10.1007/978-3-642-55526-8_22

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