paper

One-Dimensional Quantum Magnetism in the S = 1/2 Mo(V) system, KMoOP2O7

arXiv:2207.01284 · doi:10.1103/PhysRevB.107.014415

Abstract

We present a comprehensive experimental and ab-initio study of the Mo system, KMoOPO, and show that it realizes the Heisenberg chain antiferromagnet model. Powder neutron diffraction reveals that KMoOPO forms a magnetic network comprised of pairs of Mo chains within its monoclinic structure. Antiferromagnetic interactions within the Mo chains are identified through magnetometry measurements and confirmed by analysis of the magnetic specific heat. The latter reveals a broad feature centred on K, which we ascribe to the onset of long-range antiferromagnetic order. No magnetic Bragg scattering is observed in powder neutron diffraction data collected at 0.05 K, however, which is consistent with a strongly suppressed ordered moment with an upper limit . The one-dimensional character of the magnetic correlations in KMoOPO is verified through analysis of inelastic neutron scattering data, resulting in a model with K and K for the intrachain and interchain exchange interactions, respectively. The origin of these experimental findings are addressed through density-functional theory calculations.

10 pages, 7 figures

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