Magnetic ground state of La2LiMo O6: A comparison with other Mo5+ (S=1/2) double perovskites

Mirela Dragomir; Adam A. Aczel; Christopher R. Wiebe; Joey A. Lussier; Paul Dube; John E. Greedan

doi:10.1103/PhysRevMaterials.4.104406

Magnetic ground state of La2LiMo O6: A comparison with other Mo5+ (S=1/2) double perovskites

Mirela Dragomir, Adam A. Aczel, Christopher R. Wiebe, Joey A. Lussier, Paul Dube, John E. Greedan

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Abstract

La2LiMoO6 is a double perovskite (DP) with P21/n symmetry based on the Mo5+ ion, 4d1, t2g1, S=1/2. It is isostructural with Sr2YMoO6, the magnetic ground state of which is apparently a very unusual collective spin singlet or valence-bond glass state as is the case for cubic (Fm-3m) Ba2YMoO6. Initial studies of La2LiMoO6 suggested a different ground state from the other DPs but no clear conclusions could be drawn. A more detailed study is presented here including magnetic susceptibility, heat capacity, and elastic neutron-scattering results. This DP is now well characterized as an antiferromagnet, TN=18K, via observation of magnetic Bragg peaks in neutron scattering and an anomaly in the magnetic heat capacity. The ordering wave vector is k=(1/21/20), consistent with a type I face-centered-cubic magnetic structure, and the ordered moment on Mo5+ is 0.32(11)μB, much reduced from the spin-only value of 1μB. The index, f=|ϑc|/TN∼3, indicates a low level of frustration. The heat-capacity data above TN can be interpreted in terms of a one-dimensional spin-correlation model, as can the low-temperature data which follow a T1 power law. This is consistent with an earlier suggestion. The difference with isostructural Sr2YMoO6 is attributed to differences in the local distortion of the Mo-O octahedron and the resulting orbital ordering.

Original language	English
Article number	104406
Journal	Physical Review Materials
Volume	4
Issue number	10
DOIs	https://doi.org/10.1103/PhysRevMaterials.4.104406
State	Published - Oct 12 2020

Funding

J.E.G. acknowledges the support of the Natural Sciences and Engineering Research Council of Canada (NSERC) via the Discovery Grant program and the support of the Brockhouse Institute by McMaster University. C.R.W. also thanks NSERC (Discovery Grant program), the Canada Research Chair program (Tier II), the Canadian Foundation for Innovation and the Leverhulme Trust. A portion of this research used resources at the High Flux Isotope Reactor, which is a DOE Office of Science User Facility operated by Oak Ridge National Laboratory. A part of this research was supported by the Slovenian Research Agency (P2-0105).

Funders	Funder number
McMaster University
Natural Sciences and Engineering Research Council of Canada
Canada Foundation for Innovation
Leverhulme Trust
Canada Research Chairs
Javna Agencija za Raziskovalno Dejavnost RS	P2-0105

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10.1103/PhysRevMaterials.4.104406

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title = "Magnetic ground state of La2LiMo O6: A comparison with other Mo5+ (S=1/2) double perovskites",

abstract = "La2LiMoO6 is a double perovskite (DP) with P21/n symmetry based on the Mo5+ ion, 4d1, t2g1, S=1/2. It is isostructural with Sr2YMoO6, the magnetic ground state of which is apparently a very unusual collective spin singlet or valence-bond glass state as is the case for cubic (Fm-3m) Ba2YMoO6. Initial studies of La2LiMoO6 suggested a different ground state from the other DPs but no clear conclusions could be drawn. A more detailed study is presented here including magnetic susceptibility, heat capacity, and elastic neutron-scattering results. This DP is now well characterized as an antiferromagnet, TN=18K, via observation of magnetic Bragg peaks in neutron scattering and an anomaly in the magnetic heat capacity. The ordering wave vector is k=(1/21/20), consistent with a type I face-centered-cubic magnetic structure, and the ordered moment on Mo5+ is 0.32(11)μB, much reduced from the spin-only value of 1μB. The index, f=|ϑc|/TN∼3, indicates a low level of frustration. The heat-capacity data above TN can be interpreted in terms of a one-dimensional spin-correlation model, as can the low-temperature data which follow a T1 power law. This is consistent with an earlier suggestion. The difference with isostructural Sr2YMoO6 is attributed to differences in the local distortion of the Mo-O octahedron and the resulting orbital ordering.",

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AB - La2LiMoO6 is a double perovskite (DP) with P21/n symmetry based on the Mo5+ ion, 4d1, t2g1, S=1/2. It is isostructural with Sr2YMoO6, the magnetic ground state of which is apparently a very unusual collective spin singlet or valence-bond glass state as is the case for cubic (Fm-3m) Ba2YMoO6. Initial studies of La2LiMoO6 suggested a different ground state from the other DPs but no clear conclusions could be drawn. A more detailed study is presented here including magnetic susceptibility, heat capacity, and elastic neutron-scattering results. This DP is now well characterized as an antiferromagnet, TN=18K, via observation of magnetic Bragg peaks in neutron scattering and an anomaly in the magnetic heat capacity. The ordering wave vector is k=(1/21/20), consistent with a type I face-centered-cubic magnetic structure, and the ordered moment on Mo5+ is 0.32(11)μB, much reduced from the spin-only value of 1μB. The index, f=|ϑc|/TN∼3, indicates a low level of frustration. The heat-capacity data above TN can be interpreted in terms of a one-dimensional spin-correlation model, as can the low-temperature data which follow a T1 power law. This is consistent with an earlier suggestion. The difference with isostructural Sr2YMoO6 is attributed to differences in the local distortion of the Mo-O octahedron and the resulting orbital ordering.

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Magnetic ground state of La2LiMo O6: A comparison with other Mo5+ (S=1/2) double perovskites

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