The nature of the observed free-electron-like state in a PTCDA monolayer on Ag111 - Condensed Matter > Materials ScienceReport as inadecuate




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Abstract: A free-electron like band has recently been observed in a monolayer of PTCDA3,4,9,10-perylene tetracarboxylic dianhydride molecules on Ag111 bytwo-photon photoemission Schwalb et al., Phys. Rev. Lett. 101, 146801 2008and scanning tunneling spectroscopy Temirov et al., Nature 444, 350 2006.Using density functional theory calculations, we find that the observedfree-electron like band originates from the Shockley surface state band beingdramatically shifted up in energy by the interaction with the adsorbedmolecules while it acquires also a substantial admixture with a molecular band.



Author: Matthew S. Dyer, Mats Persson

Source: https://arxiv.org/







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