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- Title
Haldane topological spin-1 chains in a planar metal-organic framework.
- Authors
Tin, Pagnareach; Jenkins, Michael J.; Xing, Jie; Caci, Nils; Gai, Zheng; Jin, Rongyin; Wessel, Stefan; Krzystek, J.; Li, Cheng; Daemen, Luke L.; Cheng, Yongqiang; Xue, Zi-Ling
- Abstract
Haldane topological materials contain unique antiferromagnetic chains with symmetry-protected energy gaps. Such materials have potential applications in spintronics and future quantum computers. Haldane topological solids typically consist of spin-1 chains embedded in extended three-dimensional (3D) crystal structures. Here, we demonstrate that [Ni(μ−4,4′-bipyridine)(μ-oxalate)]n (NiBO) instead adopts a two-dimensional (2D) metal-organic framework (MOF) structure of Ni2+ spin-1 chains weakly linked by 4,4′-bipyridine. NiBO exhibits Haldane topological properties with a gap between the singlet ground state and the triplet excited state. The latter is split by weak axial and rhombic anisotropies. Several experimental probes, including single-crystal X-ray diffraction, variable-temperature powder neutron diffraction (VT-PND), VT inelastic neutron scattering (VT-INS), DC susceptibility and specific heat measurements, high-field electron spin resonance, and unbiased quantum Monte Carlo simulations, provide a detailed, comprehensive characterization of NiBO. Vibrational (also known as phonon) properties of NiBO have been probed by INS and density-functional theory (DFT) calculations, indicating the absence of phonons near magnetic excitations in NiBO, suppressing spin-phonon coupling. The work here demonstrates that NiBO is indeed a rare 2D-MOF Haldane topological material. Haldane topological solids usually have spin-1 chains in 3D structures. Here authors present Ni(4,4′-bipy)(ox) (NiBO), a planar MOF with Haldane topological properties and promising quantum applications, as shown by advanced techniques and quantum Monte Carlo studies.
- Subjects
METAL-organic frameworks; INELASTIC neutron scattering; MONTE Carlo method; ELECTRON paramagnetic resonance; BAND gaps; SPECIFIC heat
- Publication
Nature Communications, 2023, Vol 14, Issue 1, p1
- ISSN
2041-1723
- Publication type
Article
- DOI
10.1038/s41467-023-41014-1