Layertronic control of topological states in multilayer metal-organic frameworks.

Autor: Crasto de Lima F; Instituto de Física, Universidade Federal de Uberlândia, C.P. 593, 38400-902 Uberlândia, MG, Brazil., Ferreira GJ; Instituto de Física, Universidade Federal de Uberlândia, C.P. 593, 38400-902 Uberlândia, MG, Brazil., Miwa RH; Instituto de Física, Universidade Federal de Uberlândia, C.P. 593, 38400-902 Uberlândia, MG, Brazil.
Jazyk: angličtina
Zdroj: The Journal of chemical physics [J Chem Phys] 2019 Jun 21; Vol. 150 (23), pp. 234701.
DOI: 10.1063/1.5100679
Abstrakt: We investigate the layer localization control of two-dimensional states in multilayer metal-organic frameworks (MOFs). For finite stackings of (NiC 4 S 4 ) 3 MOFs, the weak van der Waals coupling between adjacent layers leads to a Fermi level dependent distribution of the electronic states in the monolayers. Such distribution is reflected in the topological edge states of multilayer nanoribbons. Moreover, by applying an external electric field parallel to the stacking direction, the spatial localization of the electronic states can be controlled for a chosen Fermi energy. This localization behavior is studied comparing density functional theory calculations with a kagome lattice tight-binding model. Furthermore, for infinite stacked nanoribbons, a new V-gutter Dirac state is found in the side surfaces, which allows anisotropic current control by tuning the Fermi energy. Our results can be immediately extended to other kagome MOFs with eclipsed stackings, introducing a new degree of freedom (layer localization) to materials design.
Databáze: MEDLINE