Numerical study of the thermodynamics of clinoatacamite

Abstract

We study the thermodynamic properties of the clinoatacamite compound, Cu_2(OH)_3Cl, by considering several approximate models. They include the Heisenberg model on (i) the uniform pyrochlore lattice, (ii) a very anisotropic pyrochlore lattice, and (iii) a kagome lattice weakly coupled to spins that sit on a triangular lattice. We utilize the exact diagonalization of small clusters with periodic boundary conditions and implement a numerical linked-cluster expansion approach for quantum lattice models with reduced symmetries, which allows us to solve model (iii) in the thermodynamic limit. We find a very good agreement between the experimental uniform susceptibility and the numerical results for models (ii) and (iii), which suggests a weak ferromagnetic coupling between the kagome and triangular layers in clinoatacamite. We also study thermodynamic properties in a geometrical transition between a planar pyrochlore lattice and the kagome lattice.

7 pages, 7 figures

References in corpus (15)

• Spin Dynamics of the Spin-1/2 Kagome Lattice Antiferromagnet ZnCu_3(OH)_6Cl_2
• Quantum magnetism in the paratacamite family: towards an ideal kagome lattice
• Quantum spin liquid states in the two dimensional kagome antiferromagnets, ZnxCu4-x(OD)6Cl2
• Numerical Linked-Cluster Approach to Quantum Lattice Models
• Competing magnetic interactions in the extended Kagome system YBaCo4O7
• Low temperature magnetization of the S=1/2 kagome antiferromagnet ZnCu_3(OH)_6Cl_2
• Magnetic Susceptibility of the Kagome Antiferromagnet ZnCu3(OH)6Cl2
• Two Dimensional Kagome Correlations and Field Induced Order in the Ferromagnetic XY Pyrochlore Yb2Ti2O7
• Numerical Linked-Cluster Algorithms. I. Spin systems on square, triangular, and kagome lattices
• Kagome lattice antiferromagnets and Dzyaloshinsky-Moriya interactions
• Numerical Linked-Cluster Algorithms. II. t-J models on the square lattice
• External magnetic field effects on a distorted kagome antiferromagnet
• Thermodynamics of the Antiferromagnetic Heisenberg Model on the Checkerboard Lattice
• Spin dynamics, short range order and spin freezing in Y0.5Ca0.5BaCo4O7
• Inelastic neutron scattering studies of the quantum frustrated magnet clinoatacamite, $\gamma$-Cu2(OD)3Cl, a proposed valence bond solid (VBS)

Cited by in corpus (11)

• A Short Introduction to Numerical Linked-Cluster Expansions
• Barlowite: A Spin-1/2 Antiferromagnet with a Geometrically Perfect Kagome Motif
• The pyrochlore S=1/2 Heisenberg antiferromagnet at finite temperature
• Possible inversion symmetry breaking in the $S=1/2$ pyrochlore Heisenberg magnet
• Thermodynamics of the pyrochlore-lattice quantum Heisenberg antiferromagnet
• Numerical linked cluster expansions for inhomogeneous systems
• Lanczos Boosted Numerical Linked-Cluster Expansion for Quantum Lattice Models
• Reduction of the sign problem near $T=0$ in quantum Monte Carlo simulations
• Hybrid quantum-classical algorithm for the transverse-field Ising model in the thermodynamic limit
• L-based numerical linked cluster expansion for square lattice models
• Magnetostriction in the $J$-$K$-$\Gamma$ model: Application of the numerical linked cluster expansion