Full propagation-vector star antiferromagnetic order in quantum spin trimer system Ca3CuNi2(PO4)4{\rm Ca_{3}CuNi_2(PO_4)_4}

preprint2014arXivOpen access

Abstract

We show that the antiferromagnetic structure in the quantum spin trimer system Ca3CuNi2(PO4)4{{\rm Ca_{3}CuNi_2(PO_4)_4}} is based on both arms of propagation vector k⃗\vec{k} star {[12,12,0],[−12,12,0]}\{[{1\over2},{1\over2},0],[-{1\over2},{1\over2},0]\} of the paramagnetic space group C2/cC2/c. The structure is generated by a symmetric direction of the order parameter of two dimensional irreducible representation of C2/cC2/c with one active magnetic mode and corresponds to the Shubnikov magnetic space group Ca2/cC_a2/c. We reveal the relation between representation analysis in the propagation vector formalism and Shubnikov symmetry. These types of multi-k⃗\vec{k} structures are extremely rarely observed experimentally. To further prove the specific magnetic structure we have performed the calculations of the spin expectation values in the isolated Ni2+^{2+}-Cu2+^{2+}-Ni2+^{2+} trimer with realistic Hamiltonian. The calculated spin values < ⁣SNi ⁣ ⁣>=0.9<\!S_{\rm Ni}\!\!>={0.9} and < ⁣SCu ⁣ ⁣>=0.3<\!S_{\rm Cu}\!\!>={0.3} are within 10% accuracy in agreement with the experiment, providing strong complimentary argument in favor of multi-arm magnetic structure.

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