Strongly reshaped organic-metal interfaces: Tetracyanoethylene on Cu(100)

Details Strongly reshaped organic-metal interfaces: Tetracyanoethylene on Cu(100) Strongly reshaped organic-metal interfaces: Tetracyanoethylene on Cu(100)

2008-10-27

arxiv.org/abs/0810.4862v2

Phys. Rev. Lett. 101, 216105 (2008)

Physics

Condensed Matter

Materials Science

4 pages, 3 figures, to appear in Physical Review Letters

Scientific paper

10.1103/PhysRevLett.101.216105

The interaction of the strong electron-acceptor tetracyanoethylene (TCNE) with the Cu(100) surface has been studied with scanning tunneling microscopy experiments and first-principles density functional theory calculations. We compare two different adsorption models with the experimental results and show that the molecular self-assembly is caused by a strong structural modification of the Cu(100) surface rather than the formation of a coordination network by diffusing Cu adatoms. Surface atoms become highly buckled and the chemisorption of TCNE is accompanied by a partial charge-transfer.

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