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arxiv: 1705.05291 · v3 · submitted 2017-05-15 · ❄️ cond-mat.str-el · cond-mat.mtrl-sci

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Signatures of a gearwheel quantum spin liquid in a spin-frac{1}{2} pyrochlore molybdate Heisenberg antiferromagnet

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Pith Number pith:7LKK277N state: computed view record JSON
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classification ❄️ cond-mat.str-el cond-mat.mtrl-sci
keywords spinheisenbergquantumantiferromagnetdownexperimentsfunctionalgearwheel
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We theoretically investigate the low-temperature phase of the recently synthesized Lu$_2$Mo$_2$O$_5$N$_2$ material, an extraordinarily rare realization of a $S=1/2$ three-dimensional pyrochlore Heisenberg antiferromagnet in which Mo$^{5+}$ are the $S=1/2$ magnetic species. Despite a Curie-Weiss temperature ($\Theta_{\rm CW}$) of $-121(1)$ K, experiments have found no signature of magnetic ordering $or$ spin freezing down to $T^*\approx0.5$ 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 $T=|\Theta_{\rm CW}|/100$, 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 Lu$_2$Mo$_2$O$_5$N$_2$.

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