Optical properties of twisted bilayer graphene with magnetic defects

IF 2.9 Q3 CHEMISTRY, PHYSICAL Electronic Structure Pub Date : 2023-06-01 DOI:10.1088/2516-1075/acdbf5
Nikita V Natalin, E. Kundelev, I. Rukhlenko, N. Tepliakov
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Abstract

Even when fabricated under ideal conditions twisted bilayer graphene (TBG) inevitably contains various defects which may significantly affect its physical properties. Here we comprehensively analyze the impact of typical point defects, represented by adsorbed hydrogen atoms, on the electronic and optical properties of TBG. It is shown using self-consistent tight-binding Hamiltonians that such point defects make TBG ferromagnetic, and that its ground state comprises a pair of nearly dispersionless spin-polarized energy bands around the Fermi level. Transitions to and from these bands strongly modify the infrared absorption of TBG and result in a sharp low-energy peak in its spectrum. It is also revealed that the adsorption of hydrogen atoms suppresses the circular dichroism of TBG due to the weakening of the electronic coupling between the graphene layers. Our findings will guide future experimental studies on the optical properties of TBG in realistic, impurity-rich environments.
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具有磁性缺陷的扭曲双层石墨烯的光学性质
即使在理想条件下制造,扭曲双层石墨烯(TBG)也不可避免地包含各种缺陷,这些缺陷可能会显著影响其物理性能。在这里,我们全面分析了以吸附的氢原子为代表的典型点缺陷对TBG的电子和光学性能的影响。使用自洽紧束缚哈密顿量表明,这种点缺陷使TBG具有铁磁性,并且其基态包括费米能级周围的一对几乎无色散的自旋极化能带。这些波段之间的跃迁强烈地改变了TBG的红外吸收,并导致其光谱中出现尖锐的低能峰。研究还表明,由于石墨烯层之间的电子耦合减弱,氢原子的吸附抑制了TBG的圆二色性。我们的发现将指导未来在现实的、富含杂质的环境中对TBG光学性质的实验研究。
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来源期刊
CiteScore
3.70
自引率
11.50%
发文量
46
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