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Magnetic properties and excitation spectrum of the S = 1/2 three-legged spin ladder, LiMoOP2O7

Abstract

We report a comprehensive experimental study including density functional theory calculations detailing the magnetic ground state of the S = 1/2 Mo5+ pyrophosphate, LiMoOP2O7, and its magnetic excitations. Neutron powder diffraction measurements confirm the P21/n structural model which is comprised of a three-legged ladder of distorted Mo5+ octahedra. Magnetometry and specific heat reveal a long-range magnetic ordering transition at TN = 3.5~K and a field-induced transition at μ0Hc = 1 T. This zero-field long-range magnetic order was determined to be a commensurate κ= 0 order with an ordered moment that is reduced from the full S = 1/2 magnetic moment by 30%. Through inelastic neutron scattering measurements and density functional theory calculations, we define the minimal microscopic model and resolve the spin Hamiltonian up to the seventh leading exchange parameter, resulting in a model with dominant antiferromagnetic leg interactions, weaker ferromagnetic rung interactions, and a significant interlayer ferromagnetic coupling.

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BibTeX
@misc{abdeldaim2026magnetic,
  title = {{Magnetic properties and excitation spectrum of the S = 1/2 three-legged spin ladder, LiMoOP2O7}},
  author = {Aly H Abdeldaim and Alexander A. Tsirlin and Jacques Ollivier and Clemens Ritter and Robin S. Perry and Lucy Clark and Gøran J. Nilsen},
  howpublished = {arXiv},
  year = {2026},
  month = oct,
  doi = {10.48550/arxiv.2610.16856},
  eprint = {2610.16856},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2610.16856},
}
RIS
TY  - UNPB
TI  - Magnetic properties and excitation spectrum of the S = 1/2 three-legged spin ladder, LiMoOP2O7
AU  - Aly H Abdeldaim
AU  - Alexander A. Tsirlin
AU  - Jacques Ollivier
AU  - Clemens Ritter
AU  - Robin S. Perry
AU  - Lucy Clark
AU  - Gøran J. Nilsen
PY  - 2026
DA  - 2026/10/12
PB  - arXiv
DO  - 10.48550/arxiv.2610.16856
UR  - https://arxiv.org/abs/2610.16856
AB  - We report a comprehensive experimental study including density functional theory calculations detailing the magnetic ground state of the S = 1/2 Mo^5+ pyrophosphate, LiMoOP2O7, and its magnetic excitations. Neutron powder diffraction measurements confirm the P2_1/n structural model which is comprised of a three-legged ladder of distorted Mo^5+ octahedra. Magnetometry and specific heat reveal a long-range magnetic ordering transition at T_N = 3.5~K and a field-induced transition at μ_0H_c = 1 T. This zero-field long-range magnetic order was determined to be a commensurate κ= 0 order with an ordered moment that is reduced from the full S = 1/2 magnetic moment by 30%. Through inelastic neutron scattering measurements and density functional theory calculations, we define the minimal microscopic model and resolve the spin Hamiltonian up to the seventh leading exchange parameter, resulting in a model with dominant antiferromagnetic leg interactions, weaker ferromagnetic rung interactions, and a significant interlayer ferromagnetic coupling.
ER  -