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Register a new userFrom mean-field localized magnetism to itinerant spin fluctuations in the Non-metallic metal - FeCrAs
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FeCrAs displays an unusual electrical response that is neither metallic in character nor divergent at low temperatures, as expected for an insulating response, and therefore it has been termed a nonmetal-metal. We carried out neutron scattering experiments on powder and single crystal samples to study the magnetic dynamics and critical fluctuations in FeCrAs. Magnetic neutron diffraction measurements find Cr3+ magnetic order setting in at 115 K with the mean-field critical exponent. Neutron spectroscopy, however, observes gapless stiff magnetic fluctuations emanating from magnetic positions with propagation wave vector q_0=(1/3,1/3), which persists up to at least 80 meV. The magnetism in FeCrAs therefore displays a response which resembles that of itinerant magnets at high energy transfers, such as chromium alloys. We suggest that the presence of stiff high-energy spin fluctuations is the origin of the unusual temperature dependence of the resistivity.
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We study the dynamical magnetic susceptibility of a strongly correlated electronic system in the presence of a time-dependent hopping field, deriving a generalized Bethe-Salpeter equation which is valid also out of equilibrium. Focusing on the single-orbital Hubbard model within the time-dependent Hartree-Fock approximation, we solve the equation in the non-equilibrium adiabatic regime, obtaining a closed expression for the transverse magnetic susceptibility. From this, we provide a rigorous definition of non-equilibrium (time-dependent) magnon frequencies and exchange parameters, expressed in terms of non-equilibrium single-electron Green functions and self-energies. In the particular case of equilibrium, we recover previously known results.
We present the results of x-ray scattering and muon-spin relaxation ($mu^{+}$SR) measurements on the iron-pnictide compound FeCrAs. Polarized non-resonant magnetic x-ray scattering results reveal the 120$^circ$ periodicity expected from the suggested three-fold symmetric, non-collinear antiferromagnetic structure. $mu^+$SR measurements indicate a magnetically ordered phase throughout the bulk of the material below $T_mathrm{N}$=105(5) K. There are signs of fluctuating magnetism in a narrow range of temperatures above $T_mathrm{N}$ involving low-energy excitations, while at temperatures well below $T_mathrm{N}$ behaviour characteristic of freezing of dynamics is observed, likely reflecting the effect of disorder in our polycrystalline sample. Using density functional theory we propose a distinct muon stopping site in this compound and assess the degree of distortion induced by the implanted muon.
An unusual, non-metallic resistivity of the 111 iron-pnictide compound FeCrAs is shown to be relatively unchanged under pressures of up to 17 GPa. Combined with our previous finding that this non-metallic behaviour persists from at least 80 mK to 800 K, this shows that the non-metallic phase is exceptionally robust. Antiferromagnetic order, with a Neel temperature T_N ~ 125 K at ambient pressure, is suppressed at a rate of 7.1 +/- 0.1 K/GPa, falling to below 50 K at 10 GPa. We conclude that formation of a spin-density wave gap at T_N does not play an important role in the non-metallic resistivity of FeCrAs at low temperatures.
Neutron scattering measurements were performed to investigate magnetic excitations in a single-crystal sample of the ternary iron arsenide BaFe2As2, a parent compound of a recently discovered family of Fe-based superconductors. In the ordered state, we observe low energy spin-wave excitations with a gap energy of 9.8(4) meV. The in-plane spin-wave velocity v_ab and out-of-plane spin-wave velocity v_c measured at 12 meV are 280(150) and 57(7) meV A, respectively. At high energy, we observe anisotropic scattering centered at the antiferromagnetic wave vectors. This scattering indicates two-dimensional spin dynamics, which possibly exist inside the Stoner continuum. At T_N=136(1) K, the gap closes, and quasi-elastic scattering is observed above T_N, indicative of short-range spin fluctuations. In the paramagnetic state, the scattering intensity along the L direction becomes rodlike, characteristic of uncorrelated out-of-plane spins, attesting to the two-dimensionality of the system.
Electron correlations tend to generate local magnetic moments that usually order if the lattices are not too frustrated. The hexagonal compound SrRu$_2$O$_6$ has a relatively high Neel temperature but small local moments, which seem to be at odds with the nominal valence of Ru$^{5+}$ in the $t_{2g}^3$ configuration. Here, we investigate the electronic property of SrRu$_2$O$_6$ using density functional theory (DFT) combined with dynamical-mean-field theory (DMFT). We find that the strong hybridization between Ru $d$ and O $p$ states results in a Ru valence that is closer to $+4$, leading to the small ordered moment $sim1.2mu_B$. While this is consistent with a DFT prediction, correlation effects are found to play a significant role. The local moment per Ru site remains finite $sim2.3mu_B$ in the whole temperature range investigated. Due to the lower symmetry, the $t_{2g}$ manifold is split and the quasiparticle weight is renormalized significantly in the $a_{1g}$ state, while the renormalization in $e_g$ states is about a factor of 2--3 weaker. Our theoretical Neel temperature $sim700$~K is in reasonable agreement with experimental observations. SrRu$_2$O$_6$ is a unique system in which localized and itinerant electrons coexist with the proximity to an orbitally-selective Mott transition within the $t_{2g}$ sector.
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