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arxiv: 1102.0777 · v3 · pith:CHVRHAWUnew · submitted 2011-02-03 · ❄️ cond-mat.str-el

Numerical study of the thermodynamics of clinoatacamite

classification ❄️ cond-mat.str-el
keywords latticeclinoatacamitekagomemodelsnumericalpyrochlorethermodynamicmodel
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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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