Numerical study of the thermodynamics of clinoatacamite

Details Numerical study of the thermodynamics of clinoatacamite Numerical study of the thermodynamics of clinoatacamite

2011-02-03

arxiv.org/abs/1102.0777v3

Phys. Rev. B 85, 064401 (2012)

Physics

Condensed Matter

Strongly Correlated Electrons

7 pages, 7 figures

Scientific paper

10.1103/PhysRevB.85.064401

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.

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