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Regensburg 2010 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 33: Poster II

MA 33.52: Poster

Freitag, 26. März 2010, 11:00–14:00, Poster B1

Stability of ferromagnetic order in monoatomic transition-metal nanowires : A first-principles study of the effective exchange interactions between local moments — •Muhammad Tanveer, Pedro Ruiz Diaz, and Gustavo Pastor — Institut für Theoretische Physik, Universität Kassel, Heinrich Plett Straße 40, 34132 Kassel, Germany

A first principles study of the stability of the magnetism in transition-metal (TM) nanowires (NW) is presented. Constrained spin moment calculations of the effective exchange interactions between local moments in V, Fe and Co nanowires are performed in the framework of a generalized gradient approximation (GGA) to density-functional theory (DFT). In the case of V wires, ferromagnetic (FM) order is stable at the equillibrium nearest neighbor (NN) distance of the free standing wire. However, very small changes in the NN distance render FM order unstable. A transition from FM to spiral spin-density wave (SDW) order is found upon a contraction of about 1%. This remarkable result is interpreted in terms of the distance dependance of the effective exchange intractions Jij between first, second, and third NN moments. Results are also given for the electronic density of states as a function of wave vector q of the spiral SDW state, which could be observed in STM experiments. Finally, the V results are contrasted with ongoing studies on Fe and Co wires.

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