Magnetic Anisotropy in a Family of Experimentally Synthesized and Theoretically Modeled M′6M8(CN24) Systems |
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| Authors: | Yi‐Quan Zhang Dr Cheng‐Lin Luo Prof Dr |
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| Institution: | School of Physical Science and Technology, Nanjing Normal University, Nanjing 210097 (China), Fax: (+86)?25‐85891421‐8409 |
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| 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′=CuII, NiII or CoII; M=FeIII or CrIII) 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. |
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| Keywords: | density functional calculations exchange coupling magnetic anisotropy single‐molecule studies zero‐field splitting |
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