功能化石墨烯的Peierls型不稳定性和可调带隙
Peierls-type Instability and Tunable Band Gap in Functionalized Graphene
摘要：
功能化的石墨烯最近被证明对这种材料的电子特性有显着的影响。在这里，我们调查的空间有序的吸附原子驱动的RKKY型相互作用。在通过Peierls不稳定性类型机制产生的有序状态中，吸附原子主要驻留在两个石墨烯子晶格之一上。次晶格对称破缺引起的电子波的布拉格散射导致带隙开放，从而狄拉克费米子获得有限的质量。带隙被发现是免疫吸附原子的位置无序，只有一个指数小数目的局域态驻留在间隙。带隙态在宽范围的电子掺杂中是稳定的。我们的研究结果表明，控制吸附原子或分子的吸附提供了一种途径，工程石墨烯的可调带隙。
英文摘要：
Functionalizing graphene was recently shown to have a dramatic effect on the electronic properties of this material. Here we investigate spatial ordering of adatoms driven by the RKKY-type interactions. In the ordered state, which arises via a Peierls-instability-type mechanism, the adatoms reside mainly on one of the two graphene sublattices. Bragg scattering of electron waves induced by sublattice symmetry breaking results in a band gap opening, whereby Dirac fermions acquire a finite mass. The band gap is found to be immune to the adatoms' positional disorder, with only an exponentially small number of localized states residing in the gap. The gapped state is stabilized in a wide range of electron doping. Our findings show that controlled adsorption of adatoms or molecules provides a route to engineering a tunable band gap in graphene.
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