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Fluorine intercalated graphene: Formation of a 2D spin lattice through pseudoatomization
Physical Review Materials ( IF 3.1 ) Pub Date : 
Shashi B. Mishra, Satyesh K. Yadav, D. G. Kanhere, B. R. K. Nanda

A suspended layer made up of ferromagnetically ordered spins could be created between two mono/multilayer graphene through intercalation. Stability and electronic structure studies show that, when fluorine molecules are intercalated between two mono/multilayer graphene, their bonds get stretched enough ( 1.9$-$2.0 ) to weaken their molecular singlet eigenstate. Geometrically, these stretched molecules form a pseudoatomized fluorine layer by maintaining a van der Waals separation of 2.6 from the adjacent carbon layers. As there is a significant charge transfer from the adjacent carbon layers to the fluorine layers, a mixture of triplet and doublet states stabilize to induce local spin-moments at each fluorine sites and in turn form a suspended 2D spin lattice.} The spins of this lattice align ferromagnetically with nearest neighbour coupling strength as large as 100 meV. Our finite temperature {ab initio} molecular dynamics study reveals that the intercalated system can be stabilized up to a temperature of 100 K with an average magnetic moment of 0.6 μB/F. However, if the graphene layers can be held fixed, the room temperature stability of such a system is feasible.

中文翻译:

氟嵌入石墨烯:通过伪原子形成二维自旋晶格

可以通过插入在两个单层/多层石墨烯之间创建由铁磁有序自旋组成的悬浮层。稳定性和电子结构研究表明,当氟分子插入两个单层/多层石墨烯之间时,它们的键被充分拉伸(1.9 $-$ 2.0)来削弱其分子单峰本征态。从几何学上讲,这些拉伸分子通过保持以下分子的范德华分离而形成伪原子化的氟层:2.6从相邻的碳层开始。由于大量电荷从相邻的碳层转移到氟层,三重态和双重态的混合物稳定下来,在每个氟位点诱导出局部自旋矩,进而形成了一个悬浮的二维自旋晶格。}晶格铁磁性排列,与最近邻的耦合强度一样大100兆电子伏。我们的有限温度{ab initio}分子动力学研究表明,插层系统可以稳定在100 K的温度下,平均磁矩为 0.6 μ/F。但是,如果可以将石墨烯层保持固定,则这种系统的室温稳定性是可行的。
更新日期:2020-06-22
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