On the Pauling entropy for ice and the accuracy of the single tetrahedron approximation for the pyrochlore lattice Ising antiferromagnet

Physics – Condensed Matter – Statistical Mechanics

Scientific paper

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4 pages, 5 figures, submitted to PRB

Scientific paper

We study the accuracy of single tetrahedron based approximations for the entropy, specific heat and uniform susceptibility of the pyrochlore lattice Ising antiferromagnet, by calculating its first corrections in a Numerical Linked Cluster (NLC) expansion. We show that these properties can be calculated by a star-graph expansion. In a tetrahedron based NLC, the first correction to a single-tetrahedron approximation arises from a cluster of 6 tetrahedra. This changes the T=0 entropy per site from ${1\over 2}\ln{3\over 2}\approx 0.20273$ to about 0.20410. At high temperatures, the accuracy of the calculations is verified by a high-order high temperature series expansion. We find the corrections to the single tetrahedron approximations to be less than one percent at all temperatures for the entropy and less than two percent for specific heat and susceptibility.

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