Magnetic properties of Quantum Corrals from first principles calculations

Details Magnetic properties of Quantum Corrals from first principles calculations Magnetic properties of Quantum Corrals from first principles calculations

2004-07-16

arxiv.org/abs/cond-mat/0407435v2

J. Phys.: Condens. Matter 17, S1037-S1048 (2005)

Physics

Condensed Matter

Materials Science

14 pages, 9 figures, submitted to J. Phys. Cond. Matt. special issue on 'Theory and Simulation of Nanostructures'

Scientific paper

10.1088/0953-8984/17/13/002

We present calculations for electronic and magnetic properties of surface states confined by a circular quantum corral built of magnetic adatoms (Fe) on a Cu(111) surface. We show the oscillations of charge and magnetization densities within the corral and the possibility of the appearance of spin--polarized states. In order to classify the peaks in the calculated density of states with orbital quantum numbers we analyzed the problem in terms of a simple quantum mechanical circular well model. This model is also used to estimate the behaviour of the magnetization and energy with respect to the radius of the circular corral. The calculations are performed fully relativistically using the embedding technique within the Korringa-Kohn-Rostoker method.

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