Yun Kyung-Han, Lee Minho, Chung Yong-Chae
J Nanosci Nanotechnol. 2014 May;14(5):3778-81. doi: 10.1166/jnn.2014.7872.
Changes in the magnetic property of the Mn transition metal on graphene were observed using density functional calculations (DFT) where the Mn/graphene system was enforced by an external electric field. The magnetic moment of the Mn adatom on graphene showed continuous changes as a result of the external field. Analysis of the charge redistribution of the system revealed that the electrons are partially transferred between graphene and the Mn adatom from the effect of the external electric field. According to the density of states (DOS) data, the transferred charge originates from the electrons in 3d spin down states. In this study, it was found that the external electric field affected the changes in the electronic structure of the outermost shell of the Mn adatom, and this change resulted in change in the magnetic moment.
利用密度泛函理论（DFT）计算，在施加外部电场的情况下，观察到了石墨烯上锰（Mn）过渡金属磁性的变化。由于外部电场的作用，石墨烯上锰吸附原子的磁矩呈现出连续变化。对该体系电荷重新分布的分析表明，受外部电场影响，电子在石墨烯和锰吸附原子之间发生了部分转移。根据态密度（DOS）数据，转移的电荷源自3d自旋向下态的电子。在本研究中发现，外部电场影响了锰吸附原子最外层电子结构的变化，而这种变化导致了磁矩的改变。
