论文标题
Moiré系统的子带结构计算的截短原子平面波法
Truncated atomic plane wave method for the subband structure calculations of Moiré systems
论文作者
论文摘要
我们提出了一种高效，准确的数值方案，称为截短的原子波（TAPW）方法，以确定受BM模型启发的扭曲双层石墨烯（TBG）的子带结构。我们的方法利用Moiré单位单元中碳原子的真实空间信息，并使用原子平面波将完整的紧密结合哈密顿量投射到一个较小的子空间中。我们使用我们的新方法以详细的Moiré电位和详细的Moiré电位一起呈现TBG的精确电子带结构，并使用我们的新方法以第一个魔术角进行了筛选。此外，我们概括了形式主义，以解决TBG中低频Moiré声子的问题。
We propose a highly efficient and accurate numerical scheme named Truncated Atomic Plane Wave (TAPW) method to determine the subband structure of Twisted Bilayer Graphene (TBG) inspired by BM model. Our method utilizes real space information of carbon atoms in the moiré unit cell and projects the full tight binding Hamiltonian into a much smaller subspace using atomic plane waves. We present accurate electronic band structures of TBG in a wide range of twist angles together with detailed moiré potential and screened Coulomb interaction at the first magic angle using our new method. Furthermore, we generalize our formalism to solve the problem of low frequency moiré phonons in TBG.
