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Band dependent inter-layer $f$-electron hybridization in CeRhIn$_5$

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 Added by QiuYun Chen
 Publication date 2018
  fields Physics
and research's language is English




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A key issue in heavy fermion research is how subtle changes in the hybridization between the 4$f$ (5$f$) and conduction electrons can result in fundamentally different ground states. CeRhIn$_5$ stands out as a particularly notable example: replacing Rh by either Co or Ir, located above or below Rh in the periodic table, antiferromagnetism gives way to superconductivity. In this photoemission study of CeRhIn$_5$, we demonstrate that the use of resonant ARPES with polarized light allows to extract detailed information on the 4$f$ crystal field states and details on the 4$f$ and conduction electron hybridization which together determine the ground state. We directly observe weakly dispersive Kondo resonances of $f$-electrons and identify two of the three Ce $4f_{5/2}^{1}$ crystal-electric-field levels and band-dependent hybridization, which signals that the hybridization occurs primarily between the Ce $4f$ states in the CeIn$_3$ layer and two more three-dimensional bands composed of the Rh $4d$ and In $5p$ orbitals in the RhIn$_2$ layer. Our results allow to connect the properties observed at elevated temperatures with the unusual low-temperature properties of this enigmatic heavy fermion compound.



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Hybridization between $f$ electrons and conduction bands ($c$-$f$ hybridization) is a driving force for many unusual phenomena. To provide insight into it, systematic studies of CeCoIn$_5$ heavy fermion superconductor have been performed by angle-resolved photoemission spectroscopy (ARPES) in a large angular range at temperature of $T=6$ K. The used photon energy of 122 eV corresponds to Ce $4d$-$4f$ resonance. Calculations carried out with relativistic multiple scattering Korringa-Kohn-Rostoker method and one-step model of photoemission yielded realistic simulation of the ARPES spectra indicating that Ce-In surface termination prevails. Surface states, which have been identified in the calculations, contribute significantly to the spectra. Effects of the hybridization strongly depend on wave vector. They include a dispersion of heavy electrons and bands gaining $f$-electron character when approaching Fermi energy. We have also observed a considerable variation of $f$-electron spectral weight at $E_F$, which is normally determined by both matrix element effects and wave vector dependent $c$-$f$ hybridization. Fermi surface scans covering a few Brillouin zones revealed large matrix element effects. A symmetrization of experimental Fermi surface, which reduces matrix element contribution, yielded a specific variation of $4f$-electron enhanced spectral intensity at $E_F$ around $bar{Gamma}$ and $bar{M}$ points. Tight-binding approximation calculations for Ce-In plane provided the same universal distribution of $4f$-electron density for a range of values of the parameters used in the model.
We discuss recent results on the heavy fermion superconductor CeRhIn$_5$ which presents ideal conditions to study the strong coupling between the suppression of antiferromagnetic order and the appearance of unconventional superconductivity. The appearance of superconductivity as function of pressure is strongly connected to the suppression of the magnetic order. Under magnetic field, the re-entrance of magnetic order inside the superconducting state shows that antiferromagnetism nucleates in the vortex cores. The suppression of antiferromagnetism in CeRhIn$_5$ by Sn doping is compared to that under hydrostatic pressure.
Soft X-ray Angle-Resolved Photoemission Spectroscopy is applied to study in-plane band dispersions of Nickel as a function of probing depth. Photon energies between 190 and 780 eV were used to effectively probe up to 3-7 layers. The results show layer dependent band dispersion of the Delta_2 minority-spin band which crosses the Fermi level in 3 or more layers, in contrast to known top 1-2 layers dispersion obtained using ultra-violet rays. The layer dependence corresponds to an increased value of exchange splitting and suggests reduced correlation effects in the bulk compared to the surface.
Optical conductivity [$sigma(omega)$] of CeRhIn$_5$ and YbNi$_3$Ga$_9$ have been measured at external pressures to 10 GPa and at low temperatures to 6 K. Regarding CeRhIn$_5$, at ambient pressure the main feature in $sigma(omega)$ is a Drude peak due to free carriers. With increasing pressure, however, a characteristic mid-infrared (mIR) peak rapidly develops in $sigma(omega)$, and its peak energy and width increase with pressure. These features are consistent with an increased conduction ($c$)-$f$ electron hybridization at high pressure, and show that the pressure has tuned the electronic state of CeRhIn$_5$ from very weakly to strongly hybridized ones. As for YbNi$_3$Ga$_9$, in contrast, a marked mIR peak is observed already at ambient pressure, indicating a strong $c$-$f$ hybridization. At high pressures, however, the mIR peak shifts to lower energy and becomes diminished, and seems merged with the Drude component at 10 GPa. Namely, CeRhIn$_5$ and YbNi$_3$Ga$_9$ exhibit some opposite tendencies in the pressure evolutions of $sigma(omega)$ and electronic structures. These results are discussed in terms of the pressure evolutions of $c$-$f$ hybridized electronic states in Ce and Yb compounds, in particular in terms of the electron-hole symmetry often considered between Ce and Yb compounds.
We present core level non-resonant inelastic x-ray scattering (NIXS) data of the heavy fermion compounds CeCoIn$_5$ and CeRhIn$_5$ measured at the Ce $N_{4,5}$-edges. The higher than dipole transitions in NIXS allow determining the orientation of the $Gamma_7$ crystal-field ground-state orbital within the unit cell. The crystal-field parameters of the Ce$M$In$_5$ compounds and related substitution phase diagrams have been investigated in great detail in the past; however, whether the ground-state wavefunction is the $Gamma_7^+$ ($x^2,-,y^2$) or $Gamma_7^-$ ($xy$ orientation) remained undetermined. We show that the $Gamma_7^-$ doublet with lobes along the (110) direction forms the ground state in CeCoIn$_5$ and CeRhIn$_5$. For CeCoIn$_5$, however, we find also some contribution of the first excited state crystal-field state in the ground state due to the stronger hybridization of 4$f$ and conduction electrons, suggesting a smaller $alpha^2$ value than originally anticipated from x-ray absorption. A comparison is made to the results of existing density functional theory plus dynamical mean-field theory calculations.
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