Gapless edge states in (C,O,H)-built molecular system with p-stacking and hydrogen bonds.

ABSTRACT: The gapless edge states have been found in a 2D molecular system built with light atoms: C,O,H. This prediction is done on the basis of combined density functional theory (DFT) and tight-binding calculations. The system does not exhibit any effect of the spin-orbit coupling (SOC), neither intrinsic nor Rashba type. The band structure and the edge states are tuned with a strength of the p-stacking and O...H interactions. The elementary cell of this noncovalent structure, does not have the 3D inversion or rotational symmetry. Instead, the system transforms via a superposition of two reflections: with respect to the xz and xy mirror planes, both containing the non-periodic direction. This superposition is equivalent to the inversion in the 2D subspace, in which the system is periodic. The ene

SUBMITTER: Wierzbowska M 

PROVIDER: S-EPMC5575060 | biostudies-literature | 2017 Aug

REPOSITORIES: biostudies-literature