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Effects of light on quantum phases and topological properties of two-dimensional Metal-organic frameworks.

ABSTRACT: Periodically driven nontrivial quantum states open another door to engineer topological phases in solid systems by light. Here we show, based on the Floquet-Bloch theory, that the on-resonant linearly and circularly polarized infrared light brings in the exotic Floquet quantum spin Hall state and half-metal in two-dimensional Metal-organic frameworks (2D MOFs) because of the unbroken and broken time-reversal symmetry, respectively. We also observe that the off-resonant light triggers topological quantum phase transitions and induces semimetals with pseudospin-1 Dirac-Weyl fermions via the photon-dressed topological band structures of 2D MOFs. This work paves a way to design light-controlled spintronics and optoelectronics based on 2D MOFs.

SUBMITTER: Wang Y

PROVIDER: S-EPMC5278405 | biostudies-literature | 2017 Jan

REPOSITORIES: biostudies-literature

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Effects of light on quantum phases and topological properties of two-dimensional Metal-organic frameworks.

Wang Yunhua Y Liu Yulan Y Wang Biao B

Scientific reports 20170130

Periodically driven nontrivial quantum states open another door to engineer topological phases in solid systems by light. Here we show, based on the Floquet-Bloch theory, that the on-resonant linearly and circularly polarized infrared light brings in the exotic Floquet quantum spin Hall state and half-metal in two-dimensional Metal-organic frameworks (2D MOFs) because of the unbroken and broken time-reversal symmetry, respectively. We also observe that the off-resonant light triggers topological ...[more]

PMID: 28134315

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Project description:We use first-principles calculations to show that the square symmetry of two-dimensional (2D) metal-organic frameworks (MOFs) made from octaamino-substituted phthalocyanines and square planar Ni2+ ions, which enable strong conjugation of π electrons, has a critical impact on the magnetic properties of the lattice. In particular, we predict the unexpected emergence of a rare high-temperature ferromagnetic half-metallic ground state in one case. Among charge neutral MOFs made from (2,3,9,10,16,17,23,24)-octaiminophthalocyanine (OIPc) metallated with divalent first-row transition metal ions (M-OIPc; M = Cr2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+) and connected through square planar Ni-bisphenylenediimine moieties, NiMn-OIPc exhibits a half-metallic and ferromagnetic ground state with a large exchange energy resulting from the unique strong hybridization between the d/π orbitals of Mn, the Pc ring, and the Ni-bisphenylenediimine nodes. Notably, we show that for NiMn-OIPc there is a considerable difference between the ferromagnetic ordering temperature (Tc) predicted by a 2D Ising model, which exceeds 600 K, and a Tc of 170 K predicted by our more realistic Monte Carlo simulation that includes magnetic anisotropy. Critically, our simulations adopt two spin models that incorporate magnetic anisotropy in the form of exchange anisotropy and single-ion anisotropy. We further show that in the bulk, 2D layers of NiMn-OIPc adopt a slipped-parallel stacking configuration, and exhibit interlayer magnetic coupling that is sensitive to the relative in-plane displacement between adjacent layers. These results highlight the critical role of magnetic anisotropy in modeling the properties of 2D magnetic systems. More generally, it demonstrates that strong hybridization between open-shell ions and delocalized aromatic π systems with appropriate symmetry, combined with large magnetic anisotropy, will be an effective design strategy to realize ferromagnetic 2D MOFs with high Tc.

Dataset Information

Effects of light on quantum phases and topological properties of two-dimensional Metal-organic frameworks.

Publications

Effects of light on quantum phases and topological properties of two-dimensional Metal-organic frameworks.

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