Fig. 1: Stacking order of the embedded fault and corresponding band structure and Landau level spectrum. | npj Computational Materials

Fig. 1: Stacking order of the embedded fault and corresponding band structure and Landau level spectrum.

From: Electronic properties of stacking faults in Bernal graphite

Fig. 1

a Schematic of the ABC stacking fault embedded in Bernal graphite, with labeled hopping parameters. White-colored carbon orbitals correspond to high-energy dimer sites. Blue denotes non-dimer Bernal sites, and red indicates states localized on a stacking fault. b Low-energy bands of a 30+1+30 layer system with red and blue color indicating states localized on 3 ABC stacked layers of a stacking fault and the bulk graphite states respectively. Yellow contour is the Fermi level (E = 0) for an undoped system. The fault-bound 2D band is identified by the red colour and it features the Dirac points (DP) in three conic branches which merge together at energies below the Lifshitz transition (LT). c Corresponding Landau levels (black thin lines) superimposed on a density of states projected onto 3 ABC stacked layers of a stacking fault (in red). Horizontal arrows indicate the states in the band structure which develop into their corresponding LLs in finite B field.

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