Electron Doping of Proposed Kagome Quantum Spin Liquid Produces Localized States in the Band Gap

Liu, Qihang; Yao, Qiushi; Kelly, Zachary A.; Pasco, Chris; McQueen, Tyrel M.; Lany, Stephan; Zunger, Alex

doi:10.1103/physrevlett.121.186402

Cited by 29 publications

(17 citation statements)

References 53 publications

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“…They exhibit strong electronic correlations 31 and even superconductivity 32 . The fact that the number of available strongly correlated Kagome metals is growing significantly is encouraging in view of experimentally realizing our results, and outweighs the difficulties so far encountered in achieving conducting Herbertsmithite materials [33][34][35] .…”

Section: Discussionsupporting

confidence: 64%

Turbulent hydrodynamics in strongly correlated Kagome metals

et al. 2020

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A current challenge in condensed matter physics is the realization of strongly correlated, viscous electron fluids. These fluids can be described by holography, that is, by mapping them onto a weakly curved gravitational theory via gauge/gravity duality. The canonical system considered for realizations has been graphene. In this work, we show that Kagome systems with electron fillings adjusted to the Dirac nodes provide a much more compelling platform for realizations of viscous electron fluids, including non-linear effects such as turbulence. In particular, we find that in Scandium Herbertsmithite, the fine-structure constant, which measures the effective Coulomb interaction, is enhanced by a factor of about 3.2 as compared to graphene. We employ holography to estimate the ratio of the shear viscosity over the entropy density in Sc-Herbertsmithite, and find it about three times smaller than in graphene. These findings put the turbulent flow regime described by holography within the reach of experiments.

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Section: Discussionsupporting

confidence: 64%

Turbulent hydrodynamics in strongly correlated Kagome metals

et al. 2020

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“…Using DFT with Eq. ( 4), Liu et al 212 observed that DFT calculations of n-type doping of the Nd 2 CuO 4 Cuprate superconductor at a low doping concentration of 6.25% (Fig. 20a), predicted an insulating phase due to the formation of an electron polaron with energy in the band gap, localized on the Cu site and accompanied with local lattice distortion.…”

Section: When Isolated Localized Insulating Polarons Coalesce Into a ...mentioning

confidence: 98%

“…The figure is reprinted with permission from Ref. 212 , Copyright (2018) by the American Physical Society.…”

Section: When Isolated Localized Insulating Polarons Coalesce Into a ...mentioning

confidence: 99%

Understanding Doping of Quantum Materials

2021

Self Cite

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Doping mobile carriers into ordinary semiconductors such as Si, GaAs, and ZnO was the enabling step in the electronic and optoelectronic revolutions. The recent emergence of a class of "Quantum Materials", where uniquely quantum interactions between the components produce specific behaviors such as topological insulation, unusual magnetism, superconductivity, spin-orbit-induced and magnetically-induced spin splitting, polaron formation, and transparency of electrical conductors, pointed attention to a range of doping-related phenomena associated with chemical classes that differ from the traditional semiconductors. These include widegap oxides, compounds containing open-shell d electrons, and compounds made of heavy elements yet having significant band gaps. The atomistic electronic structure theory of doping that has been developed over the past two decades in the sub-field of semiconductor physics has recently been extended and applied to quantum materials. The present review focuses on explaining the main concepts needed for a basic understanding of the doping phenomenology and indeed peculiarities in quantum materials from the perspective of condensed matter theory, with the hope of forging bridges to the chemists that have enabled the synthesis of some of the most interesting compounds in this field.

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“…These experimental results eliminate all of the jarosites for QSL behavior. However, future investigations into the jarosites could model Wills' 44,46 approach to taking advantage of the large vacancy concentration on the Fe sites and investigate the magnetic properties of doped jarosites to further illuminate their magnetic behavior .…”

Section: Jarosites: Afementioning

confidence: 99%

Search and Structural Featurization of Magnetically Frustrated Kagomé Lattices

Meschke¹,

Gorai²,

Stevanović³

et al. 2021

Preprint

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We have searched nearly 40,000 inorganic solids in the Inorganic Crystal Structural Database to identify compounds containing a transition metal or rare earth kagomé sublattice, a geometrically magnetically frustrated lattice, ultimately identifying ∼500 materials. A broad analysis of the chemical and structural trends of these materials shows three types of kagomé sheet stacking and several classes of magnetic complexity. Following the search and classification, we rapidly screen the magnetic properties of a subset of the materials using density functional theory to eliminate those that are unlikely to exhibit magnetic frustration. From the results of our computational screening, we rediscover six materials that have previously been explored for their low temperature magnetic behavior, albeit showing symmetry breaking distortions, spin glass behavior, or magnetic ordering. However, all are materials with antiferromagnetic behavior, which we correctly predict. Finally, we also report three materials that appear to be unexplored for their magnetic properties.

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Electron Doping of Proposed Kagome Quantum Spin Liquid Produces Localized States in the Band Gap

Cited by 29 publications

References 53 publications

Turbulent hydrodynamics in strongly correlated Kagome metals

Turbulent hydrodynamics in strongly correlated Kagome metals

Understanding Doping of Quantum Materials

Search and Structural Featurization of Magnetically Frustrated Kagomé Lattices

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