Numerical study of the thermodynamics of clinoatacamite

Ehsan Khatami, Joel S. Helton, Marcos Rigol

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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.

Original languageEnglish (US)
Article number064401
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume85
Issue number6
DOIs
StatePublished - Feb 1 2012

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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