Truncated atomic plane wave method for the subband structure calculations of Moir\'e systems
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 moir\'e unit cell and projects...
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Zusammenfassung: | 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 moir\'e 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 moir\'e 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 moir\'e phonons
in TBG. |
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DOI: | 10.48550/arxiv.2210.02026 |