Regensburg 2010 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 9: Magnetic Particles, Clusters
MA 9.13: Vortrag
Montag, 22. März 2010, 18:30–18:45, H23
Magnetic properties and anisotropy energies of deposited transition metal clusters on Pt(001) and Pt(111) surfaces — •Sanjubala Sahoo, Markus E. Gruner, Alfred Hucht, and Peter Entel — Faculty of Physics, University of Duisburg-Essen, Lotharstr. 1, 47057 Duisburg, Germany
Magnetic properties of transition metal (TM) clusters of Fe, Co, Ni and in particular, Fe-Pt deposited onto (001) and (111) surfaces of Pt are studied because of their importance in technology as possible data storage devices. We perform ab-initio structure optimization and finite temperature molecular dynamics using the Vienna Ab-initio Simulation Package (VASP) [1]. In addition, We have studied the magneto-crystalline anisotropy energy of free and deposited Fe, Co and Ni clusters. Calculations on free clusters show that for small elemental clusters of 13 atoms, (distorted) icosahedral structures are energetically favorable. We have studied supported icosahedral and cuboctahedral clusters on Pt(001) and Pt(111) surface for different starting orientations of clusters. Binary Fe-Pt clusters have large magneto-crystalline anisotropy in L10 structure. It is hence interesting to see whether this structure is stable when deposited on Pt surface, keeping in mind that Pt(001) and Pt(111) have different surface energies [2], which can influence the structure and magnetic properties of the deposited clusters. [1] G. Kresse, and J. Joubert, Phys. Rev. B. 59, 1758 (1999). [2] A. Dannenberg, M. E. Gruner, A. Hucht, and P. Entel, Phys. Rev. B (2010), in print