Collective excitations in the metallic triangular antiferromagnet<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>Pd</mml:mi><mml:mi>Cr</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>

Glamazda, A. Yu.; Lee, W.-J.; Do, Seung-Hwan; Choi, K.-Y.; Lemmens, P.; Tol, Johan van; Jeong, Jaehoon; Noh, Han-Jin

doi:10.1103/physrevb.90.045122

Cited by 10 publications

(12 citation statements)

References 27 publications

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“…So far, the advanced electronic structure theory beyond DFT was mainly utilized to achieve agreement with available experimental findings. However, it reveals also new insight into the crucial coupling of itinerant electrons with dominant Pd character and localized Cr electrons 31,36 .…”

Section: Coupling Of Localized and Itinerant Electronsmentioning

confidence: 99%

Hidden Mott insulator in metallic PdCrO2

Lechermann

2018

Phys. Rev. Materials

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There has been a long-standing debate on the coexistence between itinerant electrons and localized spins in the PdCrO2 delafossite. By means of the charge self-consistent combination of density functional theory and dynamical mean-field theory, it is corroborated that despite overall remarkable metallic response, the CrO2 layers are indeed Mott insulating as suggested by previous experimental work. The resulting k-resolved spectral function in the paramagnetic phase is in excellent agreement with available photoemission data. Subtle coupling between the itinerant and Mott-localized degrees of freedom is revealed. Different doping scenarios are simulated in order to manipulate the electronic states within the inert layers. In particular, oxygen vacancies prove effective in turning the hidden Mott insulator into a strongly correlated itinerant subsystem. The present results may open a new venue in research on quantum materials beyond canonical classification schemes. Pd O Cr c−axis FIG. 1. (color online) Delafossite ABO2 crystal structure exemplified for PdCrO2 with Pd (grey), Cr (blue) and O (red).arXiv:1805.01738v3 [cond-mat.str-el]

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Section: Coupling Of Localized and Itinerant Electronsmentioning

confidence: 99%

Hidden Mott insulator in metallic PdCrO2

Lechermann

2018

Phys. Rev. Materials

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“…along with Raman active phonon wavenumbers taken from [24] for PdCoO2, PtCoO2 and PdRhO2, and [25] for PdCrO2. Infrared active phonon wavenumbers have also been calculated and, for PdCrO2, measured in the cited papers.…”

Section: Crystal Structure and Optical Phonon Energiesmentioning

confidence: 99%

The properties of ultrapure delafossite metals

2017

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Although they were first synthesized in chemistry laboratories nearly fifty years ago, the physical properties of the metals PdCoO, PtCoO and PdCrO have only more recently been studied in detail. The delafossite structure contains triangular co-ordinated atomic layers, and electrical transport in the delafossite metals is strongly 2D. Their most notable feature is their in-plane conductivity, which is amazingly high for oxide metals. At room temperature, the conductivity of non-magnetic PdCoO and PtCoO is higher per carrier than those of any alkali metal and even the most conductive elements, copper and silver. At low temperatures the best crystals have resistivities of a few nΩ cm, corresponding to mean free paths of tens of microns. PdCrO is a frustrated antiferromagnetic metal, with magnetic scattering contributing to the resistivity at high temperatures and small gaps opening in the Fermi surface below the Néel temperature. There is good evidence that electronic correlations are weak in the Pd/Pt layers but strong in the Co/Cr layers; indeed the Cr layer in PdCrO is thought to be a Mott insulator. The delafossite metals therefore act like natural heterostructures between strongly correlated and nearly free electron sub-systems. Combined with the extremely high conductivity, they provide many opportunities to study electrical transport and other physical properties in new regimes. The purpose of this review is to describe current knowledge of these fascinating materials and set the scene for what is likely to be a considerable amount of future research.

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“…Further transport measurements have shown the effect of the short-range order on the Hall and Nernst effects [46]. Raman and electron spin resonance (ESR) measurements [47] have also shown evidence for inter-layer hoppings along the c-axis and a reconstruction of electronic bands on approaching T N . Recent ARPES [12] measurements in the antiferromagnetic phase showed that the measured spectra can be explained by an intertwined excitation consisting of a convolution of the charge spectrum of the metallic Pd layer and the spin susceptibility of the Mott insulating CrO 2 layer.…”

Section: Resultsmentioning

confidence: 98%

Impact of electron correlations on the $\mathbf{k}$-resolved electronic structure of PdCrO$_{2}$ revealed by Compton scattering

James¹,

Billington²,

Dugdale³

2023

Preprint

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Delafossite PdCrO2 is an intriguing material which displays nearly-free electron and Mott insulating behaviour in different layers. Both angle-resolved photoemission spectroscopy (ARPES) and Compton scattering measurements have established a hexagonal Fermi surface in the material's paramagnetic phase. However, the Compton experiment detected an additional structure in the projected occupancy which was originally interpreted as an additional Fermi surface feature not seen by ARPES. Here, we revisit this interpretation of the Compton data. State-of-the-art density functional theory (DFT) with dynamical mean field theory (DMFT), the so-called DFT+DMFT method, predicts the Mott insulating state along with a single hexagonal Fermi surface in excellent agreement with ARPES and Compton. However, DFT+DMFT fails to predict the intensity of the additional spectral weight feature observed in the Compton data. We infer that this discrepancy may arise from the DFT+DMFT not being able to correctly predict certain features in the shape and dispersion of the unoccupied quasiparticle band near the Fermi level. Therefore, a theoretical description beyond our DFT+DMFT model is needed to incorporate vital electron interactions, such as inter-layer electron coupling interactions which for PdCrO2 gives rise to the Kondo-like so-called intertwined excitation.

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Collective excitations in the metallic triangular antiferromagnetPdCrO2

Cited by 10 publications

References 27 publications

Hidden Mott insulator in metallic PdCrO2

Hidden Mott insulator in metallic PdCrO2

The properties of ultrapure delafossite metals

Impact of electron correlations on the $\mathbf{k}$-resolved electronic structure of PdCrO$_{2}$ revealed by Compton scattering

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