Analysis of Scanning Tunneling Spectroscopy Experiments from First Principles: the Test Case of C60 Adsorbed on Au(111)

2002/10/31 by A. J. Perez-Jimenez, J. J. Palacios, Perez-Jimenez, A. J. +7
Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci

paper · pdf · doi:10.48550/arxiv.cond-mat/0210712

24 pages (preprint format), 7 figures

arxiv created 2002/10/31 · arxiv updated 2009/11/30

Abstract

We report on the first principles determination of the conductance properties of Buckminster fullerene adsorbed on a gold surface, comparing them with recent Scanning Tunneling Microscopy/Spectroscopy (STM/S) experiments [J.Chem.Phys.116, 832 (2002)]. Our procedure has the two appealing features of being able to elucidate delicate aspects of STM/S results without resorting to ad hoc fittings or approximations and to provide a complete description of the phenomena involved when the tip approaches the adsorbate.

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