Continuum effective Hamiltonian for graphene bilayers for an arbitrary smooth lattice deformation from microscopic theories
Continuum effective Hamiltonian for graphene bilayers for an arbitrary smooth lattice deformation from microscopic theories
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DOI：
10.1103/physrevb.107.075123
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发表时间：
2022-08
影响因子：
3.7
通讯作者：
O. Vafek;Jian Kang
中科院分区：
文献类型：
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作者：
O. Vafek;Jian Kang
我们从微观晶格理论出发，提供了石墨烯双层连续统哈密顿量的系统实空间推导，允许任意非均匀光滑晶格变形，包括扭曲。分析了两种不同的微观模型：一种是Slater-Koster模型，另一种是ab-initio推导模型。我们设想，我们的有效哈密顿量可以与特定设备中扭曲双层石墨烯中实验确定的原子晶格变形结合使用，以预测和比较扫描隧道光谱测量的电子光谱。作为副产品，我们的方法提供了从微观模型的连续体哈密顿量的电子-声子耦合，用于任何双层堆叠。在本论文中，我们详细分析了魔角扭曲双层石墨烯弛豫原子构型的连续介质模型。
We provide a systematic real space derivation of the continuum Hamiltonian for a graphene bilayer starting from a microscopic lattice theory, allowing for an arbitrary inhomogeneous smooth lattice deformation, including a twist. Two different microscopic models are analyzed: first, a Slater-Koster like model and second, ab-initio derived model. We envision that our effective Hamiltonian can be used in conjunction with an experimentally determined atomic lattice deformation in twisted bilayer graphene in a specific device to predict and compare the electronic spectra with scanning tunneling spectroscopy measurements. As a byproduct, our approach provides electron-phonon couplings in the continuum Hamiltonian from microscopic models for any bilayer stacking. In the companion paper we analyze in detail the continuum models for relaxed atomic configurations of magic angle twisted bilayer graphene.