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    CaFe2O(PO4)2: A compound with S=52 corner sharing triangular sawtooth chains

    R. C. Moharana1, Sk. Soyeb Ali2, V. K. Sahu1, J. Link3, I. Heinmaa3, S. Chattopadhyay4, S. K. Panda2, R. Stern3, T. Chakrabarty5,* et al.

    B. Koteswararao1,†

    • *Contact author: tanmoy.chakrabarty@krea.edu.in
    • †Contact author: koteswararao@iittp.ac.in

    Phys. Rev. B 113, 115137 – Published 18 March, 2026

    DOI: https://doi.org/10.1103/1gmv-zkvj

    Abstract

    Combining geometrical frustration and one-dimensional magnetism boosts quantum fluctuations and leads to unusual states of quantum matter. We report the magnetic behavior of a well-separated S=52 sawtooth spin chain compound CaFe2O(PO4)2 (CFPO). Magnetic susceptibility, heat capacity, and P31 nuclear magnetic resonance measurements show evidence of strong magnetic frustration in the compound. Despite a relatively large antiferromagnetic Curie-Weiss temperature of about −1073K, the compound exhibits multiple magnetic transitions at low temperatures at 15.5, 10.4, and 7.8 K, respectively, with a frustration parameter (f≈|θCW|/TN) about 70. The Knight shift shows a broad maximum around 70 K for P1 and P2 sites. The spin-lattice relaxation rate 1/T1 follows temperature-independent behavior well above the long-range order (LRO). First-principles calculations capture the strong antiferromagnetic interactions in this quasi-one-dimensional sawtooth lattice, providing a microscopic explanation for the experimentally observed frustration, low dimensionality, and the onset of LRO at low temperatures. Our results indicate that CFPO exhibits the presence of short-range correlations and persistent spin dynamics characteristics above the LRO, which probably stem from the S=52 sawtooth spin chain model.

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