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Charge Transport through Guanine Crystals

Frank Ortmann (), Martin Preuss, Björn Oetzel, Karsten Hannewald and Friedhelm Bechstedt
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Frank Ortmann: Friedrich-Schiller-Universität Jena, Institut für Festkörpertheorie und -optik
Martin Preuss: Friedrich-Schiller-Universität Jena, Institut für Festkörpertheorie und -optik
Björn Oetzel: Friedrich-Schiller-Universität Jena, Institut für Festkörpertheorie und -optik
Karsten Hannewald: Friedrich-Schiller-Universität Jena, Institut für Festkörpertheorie und -optik
Friedhelm Bechstedt: Friedrich-Schiller-Universität Jena, Institut für Festkörpertheorie und -optik

A chapter in High Performance Computing in Science and Engineering, Garching/Munich 2007, 2009, pp 687-695 from Springer

Abstract: Abstract Using ab initio density functional theory (DFT), we study the ground-state geometry and electronic properties of guanine crystals. We present theoretical results for lattice parameters and the electronic density-of-states and band structure. The anisotropy in the band structure is traced back to the geometry, orientation, and overlap of the molecular states. Special emphasis is put on the implications for the charge carrier transport through the crystals.

Date: 2009
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-540-69182-2_52

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DOI: 10.1007/978-3-540-69182-2_52

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