Magnetoresistance of atomic-sized contacts: an ab-initio study

Details Magnetoresistance of atomic-sized contacts: an ab-initio study Magnetoresistance of atomic-sized contacts: an ab-initio study

2003-03-22

arxiv.org/abs/cond-mat/0303480v3

Phys. Rev. B 70, 064410 (2004)

Physics

Condensed Matter

Materials Science

Revised version, presentation of results is improved, figure 2 is splitted to two figures

Scientific paper

10.1103/PhysRevB.70.064410

The magnetoresistance (MR) effect in metallic atomic-sized contacts is studied theoretically by means of first-principle electronic structure calculations. We consider three-atom chains formed from Co, Cu, Si, and Al atoms suspended between semi-infinite Co leads. We employ the screened Korringa-Kohn-Rostoker Green's function method for the electronic structure calculation and evaluate the conductance in the ballistic limit using the Landauer approach. The conductance through the constrictions reflects the spin-splitting of the Co bands and causes high MR ratios, up to 50%. The influence of the structural changes on the conductance is studied by considering different geometrical arrangements of atoms forming the chains. Our results show that the conductance through s-like states is robust against geometrical changes, whereas the transmission is strongly influenced by the atomic arrangement if p or d states contribute to the current.

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