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arXiv 2107.08017cond-mat.mes-hallcond-mat.mtrl-sci
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扭曲双层石墨烯中的等离子体量子点

Plasmonic Quantum Dots in Twisted Bilayer Graphene

Tom Westerhout, Mikhail I. Katsnelson, Malte Rösner

摘要:

从第一性原理出发,推导出了扭曲双层石墨烯的真实空间多体哈密顿量,包括$p_z$电子的单粒子跳跃项和长程库仑相互作用项.通过解开低和高能量的电子色散的子空间,我们能够利用国家的最先进的约束随机相位近似计算可靠地描述非本地的背景屏蔽从高能量$s$,$p_x$,和$p_y$电子状态的任意扭曲角。随后添加来自$p_z$态的扭曲依赖的低能屏蔽以获得全屏蔽模型。我们使用这种方法来研究电子掺杂的扭曲双层石墨烯超单元中的实空间等离子体模式,并发现,除了经典的偶极模式,还具有$s$和$p$对称性的扭曲角依赖的等离子体量子点激发。基于它们的层间电荷调制和它们在电子能量损失谱中的足迹,我们可以将这些模式分为“亮”和“暗”状态,它们对扭曲角表现出不同的依赖性。

英文摘要:

We derive a material-realistic real-space many-body Hamiltonian for twisted bilayer graphene from first principles, including both single-particle hopping terms for $p_z$ electrons and long-range Coulomb interactions. By disentangling low- and high-energy subspaces of the electronic dispersion, we are able to utilize state-of-the-art constrained Random Phase Approximation calculations to reliably describe the non-local background screening from the high-energy $s$, $p_x$, and $p_y$ electron states for arbitrary twist angles. The twist-dependent low-energy screening from $p_z$ states is subsequently added to obtain a full screening model. We use this approach to study real-space plasmonic patterns in electron-doped twisted bilayer graphene supercells and find, next to classical dipole-like modes, also twist-angle-dependent plasmonic quantum-dot-like excitations with $s$ and $p$ symmetries. Based on their inter-layer charge modulations and their footprints in the electron energy loss spectrum, we can classify these modes into "bright" and "dark" states, which show different dependencies on the twist angle.

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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