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

A. J. Perez-Jimenez·J. J. Palacios·E. Louis·E. SanFabian·J. A. Verges
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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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A. J. Perez-Jimenez, J. J. Palacios, E. Louis, E. SanFabian, J. A. Verges. 2002-10-31. Analysis of Scanning Tunneling Spectroscopy Experiments from First Principles: the Test Case of C60 Adsorbed on Au(111). https://arxiv.org/abs/cond-mat/0210712

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