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Register a new userThe first-principles research on the role of surface in the heavy fermion compound CeRh$_2$Si$_2$
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In the heavy fermion materials, the characteristic energy scales of many exotic strongly correlated phenomena (Kondo effect, magnetic order, superconductivity, etc.) are at milli-electron-volt order, implying that the heavy fermion materials are surface sensitive. Here, we investigate the electronic structures for Si- and Ce-terminated surfaces of CeRh$_2$Si$_2$ by first-principles methods. Our research reveals three notable impacts of surface effects on electronic structures, which are consistent with recent angle-resolved photoemission spectroscopy (ARPES) experiments. Firstly, the relaxation of surface crystal structures changes the relative position of Fermi level, adjusts the dispersion of bands and enhances the Kondo resonance. Secondly, the decrease of the hybridization between the Ce-4$f$ and conduction electrons in the surface layer leads to a weaker Kondo resonance peak and the shift of spin-orbit bands. Thirdly, the variation of crystal electric field around surface Ce atoms affects the splitting of Kondo resonance peaks, and also pushes down the lower-Hubbard bands of surface 4$f$ electrons. Moreover, we find the characteristic of bulks lower-Hubbard bands, which was overlooked in previous works. Our investigation suggests that these surface effects are potentially important and highlighted in the future researches on properties of strongly correlated materials.
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We report a comprehensive investigation of the lattice dynamics of URu$_2$Si$_2$ as a function of temperature using Raman scattering, optical conductivity and inelastic neutron scattering measurements as well as theoretical {it ab initio} calculations. The main effects on the optical phonon modes are related to Kondo physics. The B$_{1g}$ ($Gamma_3$ symmetry) phonon mode slightly softens below $sim$100~K, in connection with the previously reported softening of the elastic constant, $C_{11}-C_{12}$, of the same symmetry, both observations suggesting a B$_{1g}$ symmetry-breaking instability in the Kondo regime. Through optical conductivity, we detect clear signatures of strong electron-phonon coupling, with temperature dependent spectral weight and Fano line shape of some phonon modes. Surprisingly, the line shapes of two phonon modes, E$_u$(1) and A$_{2u}$(2), show opposite temperature dependencies. The A$_{2u}$(2) mode loses its Fano shape below 150 K, whereas the E$_u$(1) mode acquires it below 100~K, in the Kondo cross-over regime. This may point out to momentum-dependent Kondo physics. By inelastic neutron scattering measurements, we have drawn the full dispersion of the phonon modes between 300~K and 2~K. No remarkable temperature dependence has been obtained including through the hidden order transition. {it Ab initio} calculations with the spin-orbit coupling are in good agreement with the data except for a few low energy branches with propagation in the (a,b) plane.
URu$_2$Si$_2$ is surely one of the most mysterious of the heavy-fermion compounds. Despite more than twenty years of experimental and theoretical works, the order parameter of the transition at $T_0 = 17.5$ K is still unknown. The state below $T_0$ remains called hidden-order phase and the stakes are still to identify the energy scales driving the system to this phase. We present new magnetoresistivity and magnetization measurements performed on very-high-quality single crystals in pulsed magnetic fields up to 60 T. We show that the transition to the hidden-order state in URu$_2$Si$_2$ is initially driven by a high-temperature crossover at around 40-50 K, which is a fingerprint of inter-site electronic correlations. In a magnetic field $mathbf{H}$ applied along the easy-axis $bf{c}$, the vanishing of this high-temperature scale precedes the polarization of the magnetic moments, as well as it drives the destabilization of the hidden-order phase. Strongly impurity-dependent magnetoresistivity confirms that the Fermi surface is reconstructed below $T_0$ and is strongly modified in a high magnetic field applied along $mathbf{c}$, i.e. at a sufficiently-high magnetic polarization. The possibility of a sharp crossover in the hidden-order state controlled by a field-induced change of the Fermi surface is pointed out.
We report results from neutron scattering experiments on single crystals of YbBiPt that demonstrate antiferromagnetic order characterized by a propagation vector, $tau_{rm{AFM}}$ = ($frac{1}{2} frac{1}{2} frac{1}{2}$), and ordered moments that align along the [1 1 1] direction of the cubic unit cell. We describe the scattering in terms of a two-Gaussian peak fit, which consists of a narrower component that appears below $T_{rm{N}}~approx 0.4$ K and corresponds to a magnetic correlation length of $xi_{rm{n}} approx$ 80 $rm{AA}$, and a broad component that persists up to $T^*approx$ 0.7 K and corresponds to antiferromagnetic correlations extending over $xi_{rm{b}} approx$ 20 $rm{AA}$. Our results illustrate the fragile magnetic order present in YbBiPt and provide a path forward for microscopic investigations of the ground states and fluctuations associated with the purported quantum critical point in this heavy-fermion compound.
Hidden order in URu$_2$Si$_2$ has remained a mystery now entering its 4th decade. The importance of resolving the nature of the hidden order has stimulated extensive research. Here we present a detailed characterization of different surface terminations in URu$_2$Si$_2$ by angle-resolved photoemission spectroscopy, in conjunction with scanning tunneling spectroscopy and DMFT calculations that may unveil a new piece of this puzzle. The U-terminated surface is characterized by an electron-like band around the $bar{X}$ point, while a hole-like band for the Si-terminated surface. We also investigate temperature evolution of the electronic structure around the $bar{X}$ point from 11 K up to 70 K, and did not observe any abrupt change of the electronic structure around the coherence temperature (55 K). The $f$ spectral weight gradually weakens upon increasing temperature, still some $f$ spectral weight can be found above this temperature. Our results suggest that surface terminations in URu$_2$Si$_2$ are an important issue to be taken into account in future work.
Electric resistivity, specific heat, magnetic susceptibility, and inelastic neutron scattering experiments were performed on a single crystal of the heavy fermion compound Ce(Ni$_{0.935}$Pd$_{0.065}$)$_2$Ge$_2$ in order to study the spin fluctuations near an antiferromagnetic (AF) quantum critical point (QCP). The resistivity and the specific heat coefficient for $T leq$ 1 K exhibit the power law behavior expected for a 3D itinerant AF QCP ($rho(T) sim T^{3/2}$ and $gamma(T) sim gamma_0 - b T^{1/2}$). However, for 2 $leq T leq$ 10 K, the susceptibility and specific heat vary as $log T$ and the resistivity varies linearly with temperature. Furthermore, despite the fact that the resistivity and specific heat exhibit the non-Fermi liquid behavior expected at a QCP, the correlation length, correlation time, and staggered susceptibility of the spin fluctuations remain finite at low temperature. We suggest that these deviations from the divergent behavior expected for a QCP may result from alloy disorder.
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