Electronic and magnetic properties of K2CuP2O7: A model S=12 Heisenberg chain system

R. Nath, Deepa Kasinathan, H. Rosner, M. Baenitz, and C. Geibel
Phys. Rev. B 77, 134451 – Published 30 April 2008


The electronic and magnetic properties of K2CuP2O7 were investigated by means of susceptibility, specific heat and P31 nuclear magnetic resonance (NMR) measurements and by local density approximation (LDA) band structure calculations. The temperature dependence of the NMR shift K(T) is well described by the S=12 Heisenberg antiferromagnetic chain (HAF) model with nearest neighbor exchange J1(141±5)K. The corresponding mapping of an LDA-derived tight-binding model leads to J1LDA196K. The spin lattice relaxation rate 1/T1 decreases with temperature below 300K but becomes nearly temperature independent between 30 and 2K, as theoretically expected for an S=12 HAF chain. None of the investigated properties give any evidence for long range magnetic order above 2K, which is in agreement with the results of the band structure calculation, which yield extremely weak exchange to the next nearest neighbor and a very small and frustrated interchain exchange. Thus, K2CuP2O7 seems to be a better realization of a nearest neighbor S=12 HAF chain than the compounds reported so far.

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  • Received 7 January 2008


©2008 American Physical Society

Authors & Affiliations

R. Nath, Deepa Kasinathan, H. Rosner*, M. Baenitz, and C. Geibel

  • Max Planck Institut für Chemische Physik fester Stoffe, Nöthnitzer Strasse 40, 01187 Dresden, Germany

  • *rosner@cpfs.mpg.de

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Vol. 77, Iss. 13 — 1 April 2008

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