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arXiv 0707.2964cond-mat.mes-hallcond-mat.str-el
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石墨烯纳米岛的磁性

Magnetism in graphene nano-islands

J. Fernandez-Rossier, J. J. Palacios

摘要:

我们研究了纳米尺寸的石墨烯结构的磁性与三角形和六边形的锯齿形边缘终止的形状。我们讨论了岛的形状,属于两个石墨烯子晶格的原子数量的不平衡,零能态的存在,以及总的和局部的磁矩是如何密切相关的。我们考虑电子相互作用的平均场近似的单轨道哈伯德模型和密度泛函计算。这两种描述都给出了基态总自旋的值,$S$,与二分晶格的Lieb定理一致。三角形对于所有尺寸都具有有限的$S$,而六边形具有S=0,并且在$\approx 1.5$ nm的临界尺寸以上产生局部矩。

英文摘要:

We study the magnetic properties of nanometer-sized graphene structures with triangular and hexagonal shapes terminated by zig-zag edges. We discuss how the shape of the island, the imbalance in the number of atoms belonging to the two graphene sublattices, the existence of zero-energy states, and the total and local magnetic moment are intimately related. We consider electronic interactions both in a mean-field approximation of the one-orbital Hubbard model and with density functional calculations. Both descriptions yield values for the ground state total spin, $S$, consistent with Lieb's theorem for bipartite lattices. Triangles have a finite $S$ for all sizes whereas hexagons have S=0 and develop local moments above a critical size of $\approx 1.5$ nm.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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