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Numerical Study Of The Thermodynamics Of Clinoatacamite, Ehsan Khatami, Joel Helton, Marcos Rigol
Numerical Study Of The Thermodynamics Of Clinoatacamite, Ehsan Khatami, Joel Helton, Marcos Rigol
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We study the thermodynamic properties of the clinoatacamite compound, Cu2(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 …