科研之友
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摘要
We report the density functional theory based study of the interaction between two Mn doped stannaspherenes (Mn@Sn(12)). The calculated results show that Mn@Sn(12) cluster is not only highly stable and carry a high magnetic moment, but these clusters retain their structural identity and form a stable dimer cluster. Most importantly, the magnetic coupling between the Mn@Sn(12) clusters depends on the relative orientation of the cages. In addition, ab initio molecular dynamics calculations show that the dimer cluster is stable at room temperature. These results are expected to trigger further investigations on highly stable bimetallic magnetic cage complexes.
- 出版日期2008-4-7
