1. A p-orbital honeycomb-Kagome lattice realized in a two-dimensional metal-organic framework
- Author
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Xiao-Bo Wang, Bowen Xia, Cheng-Kun Lyu, Dongwook Kim, En Li, Shu-Qing Fu, Jia-Yan Chen, Pei-Nian Liu, Feng Liu, and Nian Lin
- Subjects
Chemistry ,QD1-999 - Abstract
Abstract The experimental realization of p-orbital systems is desirable because p-orbital lattices have been proposed theoretically to host strongly correlated electrons that exhibit exotic quantum phases. Here, we synthesize a two-dimensional Fe-coordinated bimolecular metal-organic framework which constitutes a honeycomb lattice of 1,4,5,8,9,12-hexaazatriphenylene molecules and a Kagome lattice of 5,15-di(4-pyridyl)-10,20-diphenylporphyrin molecules on a Au(111) substrate. Density-functional theory calculations show that the framework features multiple well-separated spin-polarized Kagome bands, namely Dirac cone bands and Chern flat bands, near the Fermi level. Using tight-binding modelling, we reveal that these bands are originated from two effects: the low-lying molecular orbitals that exhibit p-orbital characteristics and the honeycomb-Kagome lattice. This study demonstrates that p-orbital Kagome bands can be realized in metal-organic frameworks by using molecules with molecular orbitals of p-orbital like symmetry.
- Published
- 2023
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