Abstract
In this work we apply first principles calculations to investigate the flat band phenomenology in twisted antimonene bilayer. We show that the relatively strong interlayer interactions which characterize this compound have profound effects in the emergence and properties of the flat bands. Specifically, when the moiré length becomes large enough to create well defined stacking patterns along the structure, out-of-plane displacements take place and are stabilized in the regions dominated by the AB stacking, leading to the emergence of flat bands. The interplay between structural and electronic properties allows for detection of flat bands in higher twist angles comparable to other two-dimensional materials. We also show that their energy position may be modulated by noncovalent functionalization with electron acceptor molecules.
Highlights
The experimental observation of unconventional superconductivity in twisted bilayers graphene (TBG)[1] established a new milestone in the investigation of two-dimensional (2D) materials
The interplay between structural and electronic properties allows for detection of flat bands in higher twist angles comparable to other two-dimensional materials. We show that their energy position may be modulated by noncovalent functionalization with electron acceptor molecules
The beta phase honeycomb structures of the pnictogens As, Sb, and Bi are characterized by relatively stronger interlayer interactions, which classify these materials as pseudolayered compounds.[16]. May these interactions drive localized out-of-plane deformations in rotated structures with separated regions of well de ned stacking patterns? If this is the case, is it possible to establish an interplay between geometric distortions and electronic localization underlying the at band phenomenology in these materials?. We address these questions by performing density functional theory (DFT) calculations for moire superlattices of antimonene bilayers twisted by 21.79, 13.17, 9.43, and 6.01
Summary
The experimental observation of unconventional superconductivity in twisted bilayers graphene (TBG)[1] established a new milestone in the investigation of two-dimensional (2D) materials. One of the most important aspects of these ndings is the strong rotation angle dependence, which is behind the existence of the so-called “magic angles”[6] for the observation of TBGs exotic properties. In these angles, the interlayer interactions become strong and the competition between kinetic and Coulomb potential changes the density of states giving rise to at bands in the vicinity of the Fermi level.
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