Unconventional magnetism and electronic state in frustrated layered system PdCrO\(_2\)

First-principles calculations and a model consideration of magnetically frustrated layered material PdCrO\(_2\) are performed. The results on the exchange parameters are in agreement with the experimental data on the Curie-Weiss temperature (\(\theta\)). We show that experimentally observed strong s...

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Bibliographic Details
Published in:arXiv.org 2020-07
Main Authors: Komleva, Evgenia V, Valentin Yu Irkhin, Solovyev, Igor V, Katsnelson, Mikhail I, Streltsov, Sergey V
Format: Article
Language:English
Subjects:
Curie temperature
Electron states
Exchanging
First principles
Magnetic structure
Magnetism
Online Access:Get full text
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Summary:First-principles calculations and a model consideration of magnetically frustrated layered material PdCrO\(_2\) are performed. The results on the exchange parameters are in agreement with the experimental data on the Curie-Weiss temperature (\(\theta\)). We show that experimentally observed strong suppression of the Néel temperature (\(T_N\)) 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\(^{\circ}\) magnetic structure is crucial to provide finite \(T_N\) value. However, these two factors are still insufficient to explain low \(T_N\) and the large frustration factor \(|\theta|/T_N\). Thus, we suggest a scenario of an exotic non-Fermi-liquid state in PdCrO\(_2\) above \(T_N\) within the frameworks of the Anderson lattice model, which seems to explain qualitatively all its main peculiarities.
ISSN:2331-8422
DOI:10.48550/arxiv.2007.06234