Theory Department
Max Planck Institute of Microstructure Physics
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Tao, K., Stepanyuk, V. S., Bruno, P., Bazhanov, D. I., Maslyuk, V. V., Brandbyge, M., Mertig, I.

Manipulating magnetism and conductance of an adatom-molecule junction on a metal surface: An ab initio study
Physical Review B 78, (1),pp 014426/1-4 (2008)
The state of the art ab initio calculations reveal the effect of a scanning tunneling microscopy tip on magnetic properties and conductance of a benzene-adatom sandwich on Cu(001). We concentrate on a benzene-Co system interacting with a Cr tip. Our studies give a clear evidence that magnetism and conductance in molecule-adatom junctions can be tailored by the STM tip. Varying the tip-substrate distance the magnetic moment of the Co adatom can be switched on/off. The interplay between spin-polarized electron transport through the junction and its magnetic properties is demonstrated. A spin-filter effect in the junction is predicted.

TH-2008-17