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The Effect of Adsorbed Molecules on Electronic Structure and Magnetic Properties of Nanographites

机译:吸附分子对纳米石墨电子结构和磁性的影响

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The results of investigation of changes in electronic structure and magnetic properties of multilayer graphene nanoclusters (nanographites) occurring during their interaction with adsorbed chlorine molecules are presented. The found reversible decrease in the density of states of current carriers D(E_F) at the Fermi energy E_F can be explained by the spin-splitting of edge π-electron states in nanographites induced by the enhancement of electron-electron interactions due to increase of the D(E_F) at partial transfer of the electron density from nanographites to chlorine adatoms. The revealed irreversible decrease in the concentration of localized spins indicates that the electron spins of 3p-orbitals of chlorine and unpaired (dundling) σ-orbitals of edge carbon atoms are coupled also at this interaction, i.e. the edge covalent compound of nanographite with chlorine forms. Character of changes in the spin-relaxation rate of π-electrons depending on the amount of adsorbed chlorine molecules and on temperature in chlorinated samples are also consistent with the above model of nanographite-chlorine interaction.
机译:给出了研究多层石墨烯纳米团簇(纳米石墨)与吸附的氯分子相互作用过程中电子结构和磁性的变化的研究结果。在费米能量E_F处发现的载流子D(E_F)的态密度的可逆下降可以通过纳米石墨中边π电子态的自旋分裂来解释,这是由于电子的电子相互作用增加而引起的。电子密度从纳米石墨到氯原子的部分转移时的D(E_F)。所揭示的局部自旋浓度的不可逆降低表示氯的3p轨道的电子自旋和边缘碳原子的不成对的(成对的)σ轨道也以这种相互作用耦合,即纳米石墨与氯形式的边缘共价化合物。 π电子的自旋弛豫速率的变化取决于氯化物样品中吸附的氯分子的量和温度的变化特征也与上述纳米石墨-氯相互作用的模型一致。

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