Proposed low energy model Hamiltonian for spin-gapped system CuTe2O5

Abstract

Using first-principles electronic structure calculations based on the Nth order muffin tin orbital (NMTO)-downfolding technique, we derived the low-energy spin model for CuTe2O5. Our study reveals that this compound is a 2D coupled spin-dimer system with the strongest Cu-Cu interaction mediated by two O-Te-O bridges. We checked the goodness of our model by computing the magnetic susceptibility with the Quantum Monte Carlo technique and by comparing it with available experimental data. We also present magnetization and specific heat results which may be compared with future experimental investigations. Our derived model is in disagreement with a recently proposed model for this compound [J. Deisenhofer et al, Phys. Rev. B,74 (2006) 174421]. The situation needs to be settled in terms of further experimental investigations.

8 pages, 15 figures

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• Multiferroic FeTe${}_2$O${}_5$Br: Alternating spin chains with frustrated interchain interactions
• Singlet-triplet excitations and high-field magnetization in CuTe2O5
• Magnetization and specific heat of the dimer system CuTe2O5
• THz spectroscopy in the pseudo-Kagome system Cu3Bi(SeO3)2O2Br
• Vibrational and magnetic properties of crystalline CuTe2O5
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