One-dimensional quantum magnetism in the S = 1 2 Mo(V) system KMoOP 2 O 7

Abdeldaim, Aly H, Tsirlin, Alexander A, Ollivier, Jacques, Ritter, Clemens, Fortes, Dominic, Perry, Robin S, Clark, Lucy and Nilsen, Gøran J (2023) One-dimensional quantum magnetism in the S = 1 2 Mo(V) system KMoOP 2 O 7. Physical Review B, 107 (1). 014415-.

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Abstract

We present a comprehensive experimental and ab initio study of the S=1/2Mo5+ system, KMoOP2O7, and show that it realizes the S=12 Heisenberg chain antiferromagnet model. Powder neutron diffraction reveals that KMoOP2O7 forms a magnetic network comprised of pairs of Mo5+ chains within its monoclinic P21/n structure. Antiferromagnetic interactions within the Mo5+ chains are identified through magnetometry measurements and confirmed by analysis of the magnetic specific heat. The latter reveals a broad feature centered on TN=0.54 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 μord<0.15μB. The one-dimensional character of the magnetic correlations in KMoOP2O7 is verified through analysis of inelastic neutron-scattering data, resulting in a model with J2≈34 K and J1≈-2 K for the intrachain and interchain exchange interactions, respectively. The origin of these experimental findings are addressed through density-functional theory calculations.

Item Type:	Article
Uncontrolled Keywords:	3402 Inorganic Chemistry, 34 Chemical Sciences, 51 Physical Sciences
Divisions:	Faculty of Science and Engineering > School of Physical Sciences
Depositing User:	Symplectic Admin
Date Deposited:	02 May 2023 10:54
Last Modified:	22 Jun 2024 16:42
DOI:	10.1103/physrevb.107.014415
Open Access URL:	https://arxiv.org/abs/2207.01284
Related URLs:	Publisher
URI:	https://livrepository.liverpool.ac.uk/id/eprint/3170092