TIGHT-BINDING PARAMETERS FOR GRAPHENE
TIGHT-BINDING PARAMETERS FOR GRAPHENE
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DOI：
10.1142/s0217984911025663
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发表时间：
2011-01-30
影响因子：
1.9
通讯作者：
Kundu, Rupali
中科院分区：
文献类型：
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作者：
Kundu, Rupali
在这篇文章中，我们再现了石墨烯的紧束缚pi带色散，并在同一模型下计算了pi带态密度。目的是找出一组参数，随着相对于原点原子的第一近邻和第二近邻的距离增加，第三近邻的距离按顺序递减。通过与第一主带结构计算结果的比较，我们讨论了两组这样的参数。
In this article, we have reproduced the tight-binding pi band dispersion of graphene including up to third nearest-neighbors and also calculated the density of states of pi band within the same model. The aim was to find out a set of parameters descending in order as distance towards third nearest-neighbor increases compared to that of first and second nearest-neighbors with respect to an atom at the origin. Here we have discussed two such sets of parameters by comparing the results with first principle band structure calculation.(1)