Haldane topological spin-1 chains in a planar metal-organic framework

Pagnareach Tin, Michael J. Jenkins, Jie Xing, Nils Caci, Zheng Gai, Rongyin Jin, Stefan Wessel, J. Krzystek, Cheng Li, Luke L. Daemen, Yongqiang Cheng and Zi-Ling Xue ()
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Pagnareach Tin: University of Tennessee
Michael J. Jenkins: University of Tennessee
Jie Xing: University of South Carolina
Nils Caci: RWTH Aachen University
Zheng Gai: Oak Ridge National Laboratory
Rongyin Jin: University of South Carolina
Stefan Wessel: RWTH Aachen University
J. Krzystek: Florida State University
Cheng Li: Oak Ridge National Laboratory
Luke L. Daemen: Oak Ridge National Laboratory
Yongqiang Cheng: Oak Ridge National Laboratory
Zi-Ling Xue: University of Tennessee

Nature Communications, 2023, vol. 14, issue 1, 1-11

Abstract: 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.

Date: 2023
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DOI: 10.1038/s41467-023-41014-1

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