title: Magnetic anisotropy in a family of experimentally synthesized and theoretically modeled M'6M8(CN24) systems.
abstract: A theoretical density functional study of the magnetic coupling interactions and magnetic anisotropy in a family of experimentally synthesized and theoretically modeled M'6M8(CN24) (M'=Cu(II), Ni(II) or Co(II); M=Fe(III) or Cr(III)) systems is presented. The calculations show that the interactions in the selected M'6M8(CN24) are all ferromagnetic and the near cubic symmetry of Cu6Fe8 is the origin of its negative magnetic anisotropy parameter D.
authors.affiliation: School of Physical Science and Technology, Nanjing Normal University, Nanjing 210097, China. zhangyiquan@njnu.edu.cn
authors.forename: Yi-Quan
authors.initials: YQ
authors.lastname: Zhang
authors.forename: Cheng-Lin
authors.initials: CL
authors.lastname: Luo