Quantum spin liquid and cluster Mott insulator phases in the MoO magnets
arXiv:2001.07471 · doi:10.1038/s41535-021-00316-7
Abstract
We unveil the microscopic origin of largely debated magnetism in the MoO cluster systems. Upon considering an extended Hubbard model at 1/6 filling on the anisotropic kagomé lattice formed by the Mo atoms, we argue that its ground state is determined by the competition between kinetic energy and intersite Coulomb interactions, which is controlled by the trimerisation of the kagomé lattice into the MoO clusters. Based on first-principles calculations, we show that the strong interaction limit is realised in LiZnMoO revealing a plaquette charge order with unpaired spins at the resonating hexagons, whose origin is solely related to the opposite signs of intracluster and intercluster hoppings, in contrast to all previous scenarios. On the other hand, both LiInMoO and LiScMoO are demonstrated to fall into the weak interaction limit where the electrons are well localised at the MoO clusters. While the former is found to exhibit long-range antiferromagnetic order, the latter is more likely to reveal short-range order with quantum spin liquid-like excitations. Our results not only reproduce most of the experimentally observed features of these unique materials, but will also help to describe various properties in other quantum cluster magnets.
References in corpus (33)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Maximally localized Wannier functions: Theory and applications
- Quantum Spin Liquids
- Quantum Spin Liquid States
- Spin Liquid State in an Organic Mott Insulator with Triangular Lattice
- Spin Dynamics of the Spin-1/2 Kagome Lattice Antiferromagnet ZnCu_3(OH)_6Cl_2
- Frequency-dependent local interactions and low-energy effective models from electronic structure calculations
- Lieb-Schultz-Mattis in Higher Dimensions
- Variational study of triangular lattice spin-1/2 model with ring exchanges and spin liquid state in κ-(ET)_2 Cu_2 (CN)_3
- Continuous excitations of the triangular-lattice quantum spin liquid YbMgGaO4
- Fractional spinon excitations in the quantum Heisenberg antiferromagnetic chain
- Chiral spin liquid and emergent anyons in a Kagome lattice Mott insulator
- 17O NMR study of the intrinsic magnetic susceptibility and spin dynamics of the quantum kagome antiferromagnet ZnCu3(OH)6Cl2
- Spin-1/2 Kagome Like Lattice in Volborthite Cu3V2O7(OH)2-H2O
- Emergent Chiral Spin Liquid: Fractional Quantum Hall Effect in a Kagome Heisenberg Model
- Spin-Liquid phase of the Multiple-Spin Exchange Hamiltonian on the Triangular Lattice
- Possible valence-bond condensation in the frustrated cluster magnet LiZn2Mo3O8
- The phase diagram of the hexagonal lattice quantum dimer model
- Molecular Quantum Magnetism in LiZn2Mo3O8
- Strongly correlated fermions on a kagome lattice
- Kinetic ferromagnetism on a kagome lattice
- Rearrangement of Van-der-Waals Stacking and Formation of a Singlet State at K in a Cluster Magnet
- Local magnetism and spin correlations in the geometrically frustrated cluster magnet LiZnMoO
- Emergent honeycomb lattice in LiZn2Mo3O8
- Cluster Mott insulators and two Curie-Weiss regimes on an anisotropic Kagome lattice
- Emergent orbitals in the cluster Mott insulator on a breathing Kagome lattice
- Resonating valence bond liquid physics on the triangular lattice
- Tunable quantum spin liquidity in the 1/6th-filled breathing kagome lattice
- Phase diagram of the 1/3-filled extended Hubbard model on the Kagome lattice
- Interplay of charge and spin fluctuations of strongly interacting electrons on the kagome lattice
- Phase diagram of the hexagonal lattice quantum dimer model: Order parameters, ground-state energy, and gaps
- Quantum magnetisms in uniform triangular lattices Li2AMo3O8 (A = In, Sc)
- Controlling the stoichiometry of the triangular lattice antiferromagnet LiZnMoO