Site-Specific Geometric and Electronic Relaxations at Organic-Metal Interfaces. Yamane, H., Gerlach, A., Duhm, S., Tanaka, Y., Hosokai, T., Mi, Y. Y., Zegenhagen, J., Koch, N., Seki, K., & Schreiber, F. Physical Review Letters, 105(4):046103, July, 2010.
Site-Specific Geometric and Electronic Relaxations at Organic-Metal Interfaces [link]Paper  doi  abstract   bibtex   
The correlation between the geometric and electronic structures of Zn-phthalocyanine (ZnPc) and F16ZnPc on Cu(111) were studied by x-ray standing wave and angle-resolved photoemission spectroscopy. We found evidence for a distortion of the planar molecules upon adsorption, with the central Zn atom in the molecule protruding towards the substrate. This modifies the energy levels of both the molecule and the substrate, which appear as interface states. The site-specific geometric and electronic relaxations are an important effect for organic-metal interface energetics.
@article{yamane_site-specific_2010,
	title = {Site-{Specific} {Geometric} and {Electronic} {Relaxations} at {Organic}-{Metal} {Interfaces}},
	volume = {105},
	url = {http://link.aps.org/doi/10.1103/PhysRevLett.105.046103},
	doi = {10.1103/PhysRevLett.105.046103},
	abstract = {The correlation between the geometric and electronic structures of Zn-phthalocyanine (ZnPc) and F16ZnPc on Cu(111) were studied by x-ray standing wave and angle-resolved photoemission spectroscopy. We found evidence for a distortion of the planar molecules upon adsorption, with the central Zn atom in the molecule protruding towards the substrate. This modifies the energy levels of both the molecule and the substrate, which appear as interface states. The site-specific geometric and electronic relaxations are an important effect for organic-metal interface energetics.},
	number = {4},
	urldate = {2010-09-03},
	journal = {Physical Review Letters},
	author = {Yamane, H. and Gerlach, A. and Duhm, S. and Tanaka, Y. and Hosokai, T. and Mi, Y. Y. and Zegenhagen, J. and Koch, N. and Seki, K. and Schreiber, F.},
	month = jul,
	year = {2010},
	pages = {046103},
}

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