论文标题
结构施加的电子拓扑结构在湾边缘的石墨烯纳米纤维中
Structure-imposed electronic topology in cove-edged graphene nanoribbons
论文作者
论文摘要
在湾边缘的曲折石墨烯纳米纤维（ZGNR-C）中，每个长度单元在每个锯齿形边缘上卸下一个端子CH组，形成了一个定期的Coves模式，该模式控制其电子结构。基于三个结构性参数，这些参数明确地表征了ZGNR-C的原子结构，我们提出了一个方案，该方案对它们的电子状态进行了分类，即，即如果它们是金属，拓扑绝缘器或琐碎的半导体，则所有可能的宽度n，所有可能的宽度n，n，单位长度a和cove cove位置a和cove cove位置在两个边缘的位置偏移b，从而显示直接结构的结构结构相互作用。我们进一步提出了一个经验公式，以估算N，a和b的半导体丝带的带隙。最后，我们确定所有几何可能的色带终止，并提供了具有明确定义的电子结构的ZGNR-C的规则。
In cove-edged zigzag graphene nanoribbons (ZGNR-C), one terminal CH group per length unit is removed on each zigzag edge, forming a regular pattern of coves which controls their electronic structure. Based on three structural parameters that unambiguously characterize the atomistic structure of ZGNR-C, we present a scheme that classifies their electronic state, i.e., if they are metallic, topological insulators or trivial semiconductors, for all possible widths N, unit lengths a and cove position offsets at both edges b, thus showing the direct structure-electronic structure relation. We further present an empirical formula to estimate the band gap of the semiconducting ribbons from N, a, and b. Finally, we identify all geometrically possible ribbon terminations and provide rules to construct ZGNR-C with well-defined electronic structure.
