Heusler clusters

ORAL

Abstract

Real space pseudopotential calculations are used in order to investigate the properties of Heusler clusters. Bulk-like clusters with various Ni-Mn-Ga compositions have been examined in the size range from 15 up to 169 atoms. Among these compositions the closest to the stoichiometric Ni$_2$MnGa are the most stable. These clusters retain tendency for tetragonal distortion, which is inhabited from the bulk properties. Although, the surface effects dominate suppressing the tetragonal structure in the smaller clusters, the bigger clusters develop a bulk-like tetragonal distortion. We predict the existence of switchable Ni-Mn-Ga clusters, which might be of great interest for the nano-Magnetic-Shape-Memory technology.

Authors

  • Alexey Zayak

    University of Texas at Austin

  • Scott Beckman

    Rutgers University

  • M.L. Tiago

    Oak Ridge National Laboratory, Oak Ridge Natl. Laboratory

  • Peter Entel

    University of Duisburg-Essen

  • James R. Chelikowsky

    University of Texas, University of Texas at Austin