Signatures of a gearwheel quantum spin liquid in a spin- 12 pyrochlore molybdate Heisenberg antiferromagnet

Yasir Iqbal, Tobias Müller, Kira Riedl, Johannes Reuther, Stephan Rachel, Roser Valentí, Michel J.P. Gingras, Ronny Thomale, Harald Olaf Jeschke

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Abstract

We theoretically investigate the lowerature phase of the recently synthesized Lu2Mo2O5N2 material, an extraordinarily rare realization of a S=1/2 three-dimensional pyrochlore Heisenberg antiferromagnet in which Mo5+ are the S=1/2 magnetic species. Despite a Curie-Weiss temperature (ΘCW) of -121(1) K, experiments have found no signature of magnetic ordering or spin freezing down to T∗≈0.5 K. Using density functional theory, we find that the compound is well described by a Heisenberg model with exchange parameters up to third nearest neighbors. The analysis of this model via the pseudofermion functional renormalization group method reveals paramagnetic behavior down to a temperature of at least T=|ΘCW|/100, in agreement with the experimental findings hinting at a possible three-dimensional quantum spin liquid. The spin susceptibility profile in reciprocal space shows momentum-dependent features forming a "gearwheel" pattern, characterizing what may be viewed as a molten version of a chiral noncoplanar incommensurate spiral order under the action of quantum fluctuations. Our calculated reciprocal space susceptibility maps provide benchmarks for future neutron scattering experiments on single crystals of Lu2Mo2O5N2.

Original languageEnglish
Article number071201
JournalPhysical Review Materials
Volume1
Issue number7
DOIs
Publication statusPublished - Dec 13 2017

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molybdates
Curie temperature
signatures
Liquids
liquids
Neutron scattering
Freezing
Functional groups
Density functional theory
magnetic permeability
Molten materials
Magnetization
Momentum
Experiments
renormalization group methods
Single crystals
freezing
temperature
neutron scattering
density functional theory

ASJC Scopus subject areas

  • Materials Science(all)
  • Physics and Astronomy (miscellaneous)

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Signatures of a gearwheel quantum spin liquid in a spin- 12 pyrochlore molybdate Heisenberg antiferromagnet. / Iqbal, Yasir; Müller, Tobias; Riedl, Kira; Reuther, Johannes; Rachel, Stephan; Valentí, Roser; Gingras, Michel J.P.; Thomale, Ronny; Jeschke, Harald Olaf.

In: Physical Review Materials, Vol. 1, No. 7, 071201, 13.12.2017.

Research output: Contribution to journalArticle

Iqbal, Yasir ; Müller, Tobias ; Riedl, Kira ; Reuther, Johannes ; Rachel, Stephan ; Valentí, Roser ; Gingras, Michel J.P. ; Thomale, Ronny ; Jeschke, Harald Olaf. / Signatures of a gearwheel quantum spin liquid in a spin- 12 pyrochlore molybdate Heisenberg antiferromagnet. In: Physical Review Materials. 2017 ; Vol. 1, No. 7.
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