Unconventional magnetism and electronic state in the frustrated layered system PdCrO2

First-principles calculations and a model consideration of magnetically frustrated layered material PdCrO2 are performed. The results on the exchange parameters are in agreement with the experimental data on the Curie-Weiss temperature ( θ ). We show that experimentally observed strong suppression o...

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Bibliographic Details
Published in:Physical review. B 2020-11, Vol.102 (17), p.174438
Main Authors: Komleva, Evgenia V, Irkhin, Valentin Yu, Solovyev, Igor V, Katsnelson, Mikhail I, Streltsov, Sergey V
Format: Article
Language:English
Subjects:
Curie temperature
Electron states
Exchanging
First principles
Magnetic structure
Magnetism
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Summary:First-principles calculations and a model consideration of magnetically frustrated layered material PdCrO2 are performed. The results on the exchange parameters are in agreement with the experimental data on the Curie-Weiss temperature ( θ ). We show that experimentally observed strong suppression of the Néel temperature ( TN ) in comparison with the Curie-Weiss temperature is due to three main factors. First, as expected, this is connected with the layered structure and relatively small exchange interaction along the c axis. Second, deformation of the ideal in-plane 120 ∘ magnetic structure is crucial to provide finite TN value. However, these two factors are still insufficient to explain low TN and the large frustration factor | θ | / TN . Thus, we suggest a scenario of an exotic non-Fermi-liquid state in PdCrO2 above TN within the frameworks of the Anderson lattice model, which seems to explain qualitatively all its main peculiarities.
ISSN:2469-9950
2469-9969
DOI:10.1103/PhysRevB.102.174438