Numerical study of the thermodynamics of clinoatacamite

Ehsan Khatami, Joel S. Helton, Marcos Rigol

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10 Scopus citations


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.

Original languageEnglish (US)
Article number064401
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number6
StatePublished - Feb 1 2012

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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