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Signatures of Hundness in Kagome Metals

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 Added by Li Huang
 Publication date 2020
  fields Physics
and research's language is English




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By means of the density functional theory in combination with the dynamical mean-field theory, we tried to examine the electronic structure of hexagonal FeGe, in which the Fe atoms form a quasi-2D layered Kagome lattice. We predict that it is a representative Kagome metal characterized by orbital selective Dirac fermions and extremely flat bands. Furthermore, Fes 3$d$ electrons are strongly correlated. They exhibit quite apparent signatures of electronic correlation induced by Hunds rule coupling, such as sizable differentiation in band renormalization, non-Fermi-liquid behavior, spin-freezing state, and spin-orbital separation. Thus, FeGe can be regarded as an ideal platform to study the interplay of Kagome physics and Hundness. 5



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A current challenge in condensed matter physics is the realization of strongly correlated, viscous electron fluids. These fluids are not amenable to the perturbative methods of Fermi liquid theory, but 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, which possesses Dirac dispersions at low energies as well as significant Coulomb interactions between the electrons. In this work, we show that Kagome systems with electron fillings adjusted to the Dirac nodes of their band structure 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 stoichiometric Scandium (Sc) Herbertsmithite, the fine-structure constant, which measures the effective Coulomb interaction and hence reflects the strength of the correlations, is enhanced by a factor of about 3.2 as compared to graphene, due to orbital hybridization. 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, for the first time, the turbulent flow regime described by holography within the reach of experiments.
We study how multiple charge excitations appear in the resonant inelastic x-ray scattering (RIXS) spectra of metals. The single excitations in the problem are the plasmons and electron-hole pairs, and multi-excitation processes are usually neglected. However, at small momentum transfer the multi-excitation contributions may dominate the signal and one needs to understand how to interpret the data. In particular, we demonstrate how to decode the total multi-excitation intensity and extract the plasmon dispersion. While our calculations are based on the random phase approximation, which does not allow to obtain quantitatively precise results in the entire region of parameters, we expect them to capture semi-qualitatively all features expected for charged Fermi-liquid states, including universal and singular properties of the RIXS spectra.
Motivated by the recent experiments on the kagome metals $Atext{V}_3text{Sb}_5$ with $A=text{K}, text{Rb}, text{Cs}$, which see onset of charge density wave (CDW) order at $sim$ $100$ K and superconductivity at $sim$ $1$ K, we explore the onset of superconductivity, taking the perspective that it descends from a parent CDW state. In particular, we propose that the pairing comes from the Pomeranchuk fluctuations of the reconstructed Fermi surface in the CDW phase. This scenario naturally explains the large separation of energy scale from the parent CDW. Remarkably, the phase diagram hosts the double-dome superconductivity near two reconstructed Van Hove singularities. These singularities occur at the Lifshitz transition and the quantum critical point of the parent CDW. The first dome is occupied by the $d_{xy}$-wave nematic spin-singlet superconductivity. Meanwhile, the $(s+d_{x^2-y^2})$-wave nematic spin-singlet superconductivity develops in the second dome. Our work sheds light on an unconventional pairing mechanism with strong evidences in the kagome metals $Atext{V}_3text{Sb}_5$.
In comparison to 3d or 4f metals, magnetism in actinides remains poorly understood due to experimental complications and the exotic behavior of the 5f states. In particular, plutonium metal is most especially vexing. Over the last five decades theories proposed the presence of either ordered or disordered local moments at low temperatures. However, experiments such as magnetic susceptibility, electrical resistivity, nuclear magnetic resonance, specific heat, and elastic and inelastic neutron scattering show no evidence for ordered or disordered magnetic moments in any of the six phases of plutonium. Beyond plutonium, the magnetic structure of other actinides is an active area of research given that temperature, pressure, and chemistry can quickly alter the magnetic structure of the 5f states. For instance, curium metal has an exceedingly large spin polarization that results in a total moment of about 8 Bohr magneton/atom, which influences the phase stability of the metal. Insight in the actinide ground state can be obtained from core-level x-ray absorption spectroscopy (XAS) and electron energy-loss spectroscopy (EELS). A sum rule relates the branching ratio of the core-level spectra measured by XAS or EELS to the expectation value of the angular part of the spin-orbit interaction.
This study examines the effect of distorted triangular magnetic interactions in the Kagome lattice. Using a Holstein-Primakoff expansion, we determine the analytical solutions for classical energies and the spin-wave modes for various magnetic configurations. By understanding the magnetic phase diagram, we characterize the changes in the spin waves and examine the spin distortions of the ferromagnetic (FM), Antiferrimagnetic (AfM), and 120$^{circ}$ phases that are produced by variable exchange interactions and lead to various non-collinear phases, which provides a deeper understanding of the magnetic fingerprints of these configurations for experimental characterization and identification.
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