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Prediction of Double-Weyl Points in the Iron-Based Superconductor CaKFe$_4$As$_4$

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 Added by Niclas Heinsdorf
 Publication date 2021
  fields Physics
and research's language is English




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Employing a combination of symmetry analysis, low-energy modeling, and ab initio simulations, we predict the presence of magnetic-field-induced Weyl points close to the Fermi level in CaKFe$_4$As$_4$. Depending on the relative strengths of the magnetic field and of the spin-orbit coupling, the Weyl fermions can carry a topological charge of $pm1$ or $pm2$, making CaKFe$_4$As$_4$ a rare realization of a double-Weyl semimetal. We further predict experimental manifestations of these Weyl points, both in bulk properties, such as the anomalous Hall effect, and in surface properties, such as the emergence of prominent Fermi arcs. Because CaKFe$_4$As$_4$ displays unconventional fully-gapped superconductivity below 30 K, our findings open a novel route to investigate the interplay between superconductivity and Weyl fermions.



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We use polarized inelastic neutron scattering to study the spin-excitations anisotropy in the bilayer iron-based superconductor CaKFe$_4$As$_4$ ($T_c$ = 35 K). In the superconducting state, both odd and even $L-$modulations of spin resonance have been observed in our previous unpolarized neutron scattering experiments (T. Xie {it et al.} Phys. Rev. Lett. {bf 120}, 267003 (2018)). Here we find that the high-energy even mode ($sim 18$ meV) is isotropic in spin space, but the low-energy odd modes consist of a $c-$axis polarized mode around 9 meV along with another partially overlapped in-plane mode around 12 meV. We argue that such spin anisotropy is induced by the spin-orbit coupling in the spin-vortex-type fluctuations of this unique compound. The spin anisotropy is strongly affected by the superconductivity, where it is weak below 6 meV in the normal state and then transferred to higher energy and further enhanced in the odd mode of spin resonance below $T_c$.
We report an inelastic neutron scattering study on the spin resonance in the bilayer iron-based superconductor CaKFe$_4$As$_4$. In contrast to its quasi-two-dimensional electron structure, three strongly $L$-dependent modes of spin resonance are found below $T_c=35$ K. The mode energies are below and linearly scale with the total superconducting gaps summed on the nesting hole and electron pockets, essentially in agreement with the results in cuprate and heavy fermion superconductors. This observation supports the sign-reversed Cooper pairing mechanism under multiple pairing channels and resolves the long-standing puzzles concerning the broadening and dispersive spin resonance peak in iron pnictides. More importantly, the triple resonant modes can be classified into odd and even symmetries with respect to the distance of Fe-Fe planes within the Fe-As bilayer unit. Thus, our results closely resemble those in the bilayer cuprates with nondegenerate spin excitations, suggesting that these two high-$T_c$ superconducting families share a common nature.
The upper critical field of multiband superconductors is an important quantity that can reveal the details about the nature of the superconducting pairing. Here we experimentally map out the complete upper critical field phase diagram of a stoichiometric superconductor, CaKFe$_4$As$_4$, up to 90T for different orientations of the magnetic field and at temperatures down to 4.2K. The upper critical fields are extremely large, reaching values close to ~3$T_c$ at the lowest temperature, and the anisotropy decreases dramatically with temperature leading to essentially isotropic superconductivity at 4.2K. We find that the temperature dependence of the upper critical field can be well described by a two-band model in the clean limit with band coupling parameters favouring intraband over interband interactions. The large Pauli paramagnetic effects together with the presence of the shallow bands is consistent with the stabilization of an FFLO state at low temperatures in this clean superconductor.
$^{57}$Fe Mossbauer spectra at different temperatures between $sim 5$ K and $sim 300$ K were measured on an oriented mosaic of single crystals of CaKFe$_4$As$_4$ . The data indicate that CaKFe$_4$As$_4$ is a well formed compound with narrow spectral lines, no traces of other, Fe - containing, secondary phases in the spectra and no static magnetic order. There is no discernible feature at the superconducting transition temperature in any of the hyperfine parameters. The temperature dependence of the quadrupole splitting approximately follows the empirical $T^{3/2}$ law. The hyperfine parameters of CaKFe$_4$As$_4$ are compared with those for KFe$_2$As$_2$ measured in this work, and the literature data for CaFe$_2$As$_2$, and were found to be in between those for these two, ordered, 122 compounds, in agreement with the gross view of CaKFe$_4$As$_4$ as a structural analog of KFe$_2$As$_2$ and CaFe$_2$As$_2$ that has alternating Ca - and K - layers in the structure.
The magnetic penetration depth anisotropy $gamma_lambda=lambda_{c}/lambda_{ab}$ ($lambda_{ab}$ and $lambda_{c}$ are the in-plane and the out-of-plane components of the magnetic penetration depth) in a CaKFe$_4$As$_4$ single crystal sample (the critical temperature $T_{rm c}simeq 35$ K) was studied by means of muon-spin rotation ($mu$SR). $gamma_lambda$ is almost temperature independent for $Tlesssim 20$ K ($gamma_lambdasimeq 1.9$) and it reaches $simeq 3.0$ by approaching $T_{rm c}$. The change of $gamma_lambda$ induces the corresponding rearrangement of the flux line lattice (FLL), which is clearly detected via enhanced distortions of the FLL $mu$SR response. Comparison of $gamma_lambda$ with the anisotropy of the upper critical field ($gamma_{H_{rm c2}}$) studied in Phys. Rev B {bf 94}, 064501 (2016), reveals that $gamma_lambda$ is systematically higher than $gamma_{H_{rm c2}}$ at low-temperatures and approaches $gamma_{H_{rm c2}}$ for $T rightarrow T_{rm c}$. The anisotropic properties of $lambda$ are explained by the multi-gap nature of superconductivity in CaKFe$_4$As$_4$ and are caused by anisotropic contributions of various bands to the in-plane and the out-of-plane components of the superfluid density.
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