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Correlator product state study of molecular magnetism in the giant Keplerate Mo₇₂Fe₃₀

Neuscamman, Eric and Chan, Garnet Kin-Lic (2012) Correlator product state study of molecular magnetism in the giant Keplerate Mo₇₂Fe₃₀. Physical Review B, 86 (6). Art. No. 064402. ISSN 2469-9950. doi:10.1103/PhysRevB.86.064402.

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We have studied the properties of the giant Keplerate molecular magnet Mo₇₂Fe₃₀, as a function of applied magnetic field, using the correlator product state (CPS) tensor network ansatz. The magnet is modeled with an S=5/2 antiferromagnetic Heisenberg Hamiltonian on the 30-site icosidodecahedron lattice, a model for which exact diagonalization is infeasible. The CPS ansatz produces significant improvements in variational energies relative to previous studies using the density matrix renormalization group, a result of its superior ability to handle strong correlation in two-dimensional spin systems. The CPS results reaffirm that the ground-state energies adhere qualitatively to the parabolic progression of the rotational band model (RBM), but show important deviations near 1/3 of the saturation field. These deviations predict anomalous behavior in the differential magnetization and heat capacity that can not be explained by the RBM alone. Finally, we show that these energetic deviations originate from a qualitative change in the ground state that resembles a finite-size analog of a phase transition.

Item Type:Article
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URLURL TypeDescription Paper
Chan, Garnet Kin-Lic0000-0001-8009-6038
Alternate Title:Correlator product state study of molecular magnetism in the giant Keplerate Mo72Fe30
Additional Information:© 2012 American Physical Society. Received 4 April 2012; published 1 August 2012. The authors would like to thank J. Schnack for helpful discussions regarding the rotational band model. This work was supported by NSF EAGER CHE-1004603, the David and Lucile Packard Foundation, and by the Miller Institute for Basic Research in Science.
Funding AgencyGrant Number
David and Lucile Packard FoundationUNSPECIFIED
Miller Institute for Basic Research in ScienceUNSPECIFIED
Issue or Number:6
Classification Code:PACS number(s): 75.50.Xx, 75.50.Ee, 75.10.Jm, 71.15.−m
Record Number:CaltechAUTHORS:20170125-085528019
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:73704
Deposited By: Donna Wrublewski
Deposited On:25 Jan 2017 23:51
Last Modified:11 Nov 2021 05:20

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