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Numerical Study of the Thermodynamics of Clinoatacamite



Ehsan Khatami, Joel Helton, Marcos Rigol


In this Brief Report, we discuss the use of linked-cluster expansions in solving quantum models that break certain symmetries of the underlying lattice. We sketch the algorithm for the numerical linked-cluster expansions (NLCEs) and show that although some point group and translational symmetries of the original lattice are lost, NLCEs for the anisotropic case can still be used if these symmetries are properly restored through averaging over different embeddings of the clusters. We apply this method to an approximate model for clinoatacamite materials, that are believed to consist of Kagom¿e layers coupled weakly to triangular layers, and find excellent agreement between the experimental uniform susceptibility and the numerical results from the NLCEs. We also examine thermodynamics of a toy model in which by tuning the strength of interaction on certain bonds, the geometry of the lattice changes from a planar pyrochlore lattice to a Kagom¿e lattice.
Physical Review B (Brief Reports)


High temperature expansions, frustrated magnets, kagome lattices, pyrochlore lattices, susceptibility


Khatami, E. , Helton, J. and Rigol, M. (2012), Numerical Study of the Thermodynamics of Clinoatacamite, Physical Review B (Brief Reports), [online], (Accessed April 24, 2024)
Created January 31, 2012, Updated October 12, 2021