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- W3102178791 abstract "We theoretically investigate the low-temperature phase of the recently synthesized ${mathrm{Lu}}_{2}{mathrm{Mo}}_{2}{mathrm{O}}_{5}{mathrm{N}}_{2}$ material, an extraordinarily rare realization of a $S=1/2$ three-dimensional pyrochlore Heisenberg antiferromagnet in which ${mathrm{Mo}}^{5+}$ are the $S=1/2$ magnetic species. Despite a Curie-Weiss temperature (${mathrm{ensuremath{Theta}}}_{mathrm{CW}}$) of $ensuremath{-}121(1)$ K, experiments have found no signature of magnetic ordering $mathit{or}$ spin freezing down to ${T}^{*}ensuremath{approx}0.5$ 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 $T=|{mathrm{ensuremath{Theta}}}_{mathrm{CW}}|/100$, 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 ${mathrm{Lu}}_{2}{mathrm{Mo}}_{2}{mathrm{O}}_{5}{mathrm{N}}_{2}$." @default.
- W3102178791 created "2020-11-23" @default.
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- W3102178791 date "2017-12-13" @default.
- W3102178791 modified "2023-10-15" @default.
- W3102178791 title "Signatures of a gearwheel quantum spin liquid in a spin- <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mfrac><mml:mn>1</mml:mn><mml:mn>2</mml:mn></mml:mfrac></mml:math> pyrochlore molybdate Heisenberg antiferromagnet" @default.
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- W3102178791 doi "https://doi.org/10.1103/physrevmaterials.1.071201" @default.
- W3102178791 hasPublicationYear "2017" @default.
- W3102178791 type Work @default.