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- W2893228834 abstract "We present a tight-binding calculation of a twisted bilayer graphene at magic angle $thetasim 1.08^circ$, allowing for full, in- and out-of-plane, relaxation of the atomic positions. The resulting band structure displays as usual four narrow mini bands around the neutrality point, well separated from all other bands after the lattice relaxation. A thorough analysis of the mini-bands Bloch functions reveals an emergent $D_6$ symmetry, despite the lack of any manifest point group symmetry in the relaxed lattice. The Bloch functions at the $Gamma$ point are degenerate in pairs, reflecting the so-called valley degeneracy. Moreover, each of them is invariant under C$_{3z}$, i.e., transforming like one-dimensional, in-plane symmetric irreducible representation of an emergent $D_6$ group. Out of plane, the lower doublet is even under C$_{2x}$, while the upper doublet is odd, which implies that at least eight Wannier orbitals, two $s$-like and two $p_z$-like for each of the two supercell sublattices AB and BA are necessary, probably not sufficient, to describe the four mini bands. This unexpected one-electron complexity is likely to play an important role in the still unexplained metal-insulator-superconductor phenomenology of this system." @default.
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- W2893228834 date "2018-12-18" @default.
- W2893228834 modified "2023-10-18" @default.
- W2893228834 title "Emergent <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:msub><mml:mi>D</mml:mi><mml:mn>6</mml:mn></mml:msub></mml:math> symmetry in fully relaxed magic-angle twisted bilayer graphene" @default.
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- W2893228834 doi "https://doi.org/10.1103/physrevb.98.235137" @default.
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