arXiv subjects
Publications and source records attributed to J. Kolorenc.
We investigate the origin of satellite features that appear in the high-resolution x-ray absorption spectra measured at the uranium M 4 edge in compounds where the uranium atoms are in the U 6+ oxidation state. We employ a material-specific Anderson impurity model derived from the electronic structure obtained by the density-functional theory.
The recently proposed theoretical concept of a Hund's metal is regarded as a key to explain the exotic magnetic and electronic behavior occuring in the strongly correlated electron systems of multiorbital metallic materials. However, a tuning of the abundance of parameters, that determine these systems, is experimentally challenging. Here, we investigate the smallest possible realization of a Hund's metal, a Hund's impurity, realized by a single magnetic impurity strongly hybridized to a metallic substrate. We experimentally control all relevant parameters including magnetic anisotropy and hybridization by hydrogenation with the tip of a scanning tunneling microscope and thereby tune it through a regime from emergent magnetic moments into a multi-orbital Kondo state. Our comparison of the measured temperature and magnetic field dependent spectral functions to advanced many-body theories will give relevant input for their application to non-Fermi liquid transport, complex magnetic order, or unconventional superconductivity.
We combine several numerical and semi-analytical methods to study the $5d$ double perovskites Sr2YIRO6 and Ba2YIRO6 which were recently proposed to exhibit excitonic magnetism. Starting from the density functional theory and constrained random phase approximation we construct effective multi-band Hubbard models. These are analyzed by means of static and dynamical mean-field theories and strong coupling expansion. We find both materials to be insulators, but, contrary to the experimental claims, with a large spin gap of several hundreds meV preventing formation of an ordered state at low temperature
The correlated band theory implemented as a combination of the local density approximation with the exact diagonalization of the Anderson impurity model is applied to PuO$_2$. We obtain an insulating electronic structure consistent with the experimental photoemission spectra. The calculations yield the band gap of 1.8 eV and a non-magnetic singlet ground state that is characterized by a non-integer filling of the plutonium $f$ shell ($n_f\approx 4.5$). Due to sizeable hybridization of the $f$ shell with the $p$ states of oxygen, the ground state is more complex than the four-electron Russell--Saunders ${}^5{\rm I}_4$ manifold split by the crystal field. The inclusion of hybridization improves the agreement between the theory and experiment for the magnetic susceptibility.
Electronic structure calculations combining the local-density approximation with an exact diagonalization of the Anderson impurity model show an intermediate 5f^5-5f^6-valence ground state and delocalization of the 5f^5 multiplet of the Pu atom 5f-shell in PuCoIn_5, PuCoGa_5, and δ-Pu. The 5f-local magnetic moment is compensated by a moment formed in the surrounding cloud of conduction electrons. For PuCoGa_5 and δ-Pu the compensation is complete and the Anderson impurity ground state is a singlet. For PuCoIn_5 the compensation is partial and the Pu ground state is magnetic. We suggest that the unconventional d-wave superconductivity is likely mediated by the 5f-states antiferromagnetic fluctuations in PuCoIn_5, and by valence fluctuations in PuCoGa_5.
A century on from its discovery, a complete fundamental understanding of superconductivity is still missing. Considerable research efforts are currently devoted to elucidating mechanisms by which pairs of electrons can bind together through the mediation of a boson field different than the one associated to the vibrations of a crystal lattice. PuCoGa_5, a 5f-electron heavy-fermion superconductor with a record critical temperature T_c=18.5 K, is one of the many compounds for which the short-range, isotropic attraction provided by simple electron-phonon coupling does not appear as an adequate glue for electron pairing. Here, we report the results of point-contact spectroscopy measurements in single crystals of PuCoGa_5. Andreev reflection structures are clearly observed in the low-temperature spectra, and unambiguously prove that the paired superconducting electrons have wavefunction with the d-wave symmetry of a four-leaf clover. A straightforward analysis of the spectra provide the amplitude of the gap and its temperature dependence, Δ(T). We obtain Δ(T -> 0) = 5.1 \pm 0.3 meV and a gap ratio, 2Δ/k_B T_c = 6.5 \pm 0.3, indicating that the compound is in the regime of strong electron-boson coupling. The gap value and its temperature dependence can be well reproduced within the Eliashberg theory for superconductivity if the spectral function of the mediating bosons has a spin-fluctuations-like shape, with a peak energy of 6.5 meV. Electronic structure calculations, combining the local density approximation with an exact diagonalization of the Anderson impurity model, provide a hint about the possible origin of the fluctuations.
We discuss conditions to be put on mean-field-like theories to be able to describe fundamental physical phenomena in disordered electron systems. In particular, we investigate options for a consistent mean-field theory of electron localization and for a reliable description of transport properties. We argue that a mean-field theory for the Anderson localization transition must be electron-hole symmetric and self-consistent at the two-particle (vertex) level. We show that such a theory with local equations can be derived from the asymptotic limit to high spatial dimensions. The weight of the diffusion pole, i. e., the number of diffusive states at the Fermi energy, in this mean-field theory decreases with the increasing disorder strength and vanishes in the localized phase. Consequences of the disclosed behavior for our understanding of vanishing of electron diffusion are discussed.
We discuss conditions for the existence of the diffusion pole and its consequences in disordered noninteracting electron systems. Using only nonperturbative and exact arguments we find against expectations that the diffusion pole can exist only in the diffusive (metallic) regime. We demonstrate that the diffusion pole in the Anderson localization phase would lead to nonexistence of the self-energy and hence to a physically inconsistent picture. The way how to consistently treat and understand the Anderson localization transition with vanishing of the diffusion pole is presented.
We discuss conservation of probability in noniteracting disordered electron systems. We argue that although the norm of the electron wave function is conserved in individual realizations of the random potential, we cannot extend this conservation law easily to configurationally averaged systems in the thermodynamic limit. A direct generalization of the norm conservation to averaged functions is hindered by the existence of localized states breaking translational invariance. Such states are elusive to the description with periodic Bloch waves. Mathematically this difficulty is manifested through the diffusion pole in the electron-hole irreducible vertex. The pole leads to a clash with analyticity of the self-energy, reflecting causality of the theory, when norm conservation is enforced by the Ward identity between one- and two-particle averaged Green functions.
Anderson model of noninteracting disordered electrons is studied in high spatial dimensions. We find that off-diagonal one- and two-particle propagators behave as gaussian random variables w.r.t. momentum summations. With this simplification and with the electron-hole symmetry we reduce the parquet equations for two-particle irreducible vertices to a single algebraic equation for a local vertex. We find a disorder-driven bifurcation point in this equation signalling vanishing of diffusion and onset of Anderson localization. There is no bifurcation in $d=1,2$ where all states are localized. A natural order parameter for Anderson localization pops up in the construction.
We address the problem of fulfilling consistency conditions in solutions for disordered noninteracting electrons. We prove that if we assume the existence of the diffusion pole in an electron-hole symmetric theory we cannot achieve a solution with a causal self-energy that would fully fit the Ward identity. Since the self-energy must be causal, we conclude that the Ward identity is partly violated in the diffusive transport regime of disordered electrons. We explain this violation in physical terms and discuss its consequences.
We study consequences of gauge invariance and charge conservation of an electron gas in a strong random potential perturbed by a weak electromagnetic field. We use quantum equations of motion and Ward identities for one- and two-particle averaged Green functions to establish exact relations between density and current response functions. In particular we find precise conditions under which we can extract the current-current correlation function from the density-density correlation function and vice versa. We use these results in two different ways to extend validity of a formula associating the density response function with the electrical conductivity from semiclassical equilibrium to quantum nonequilibrium systems. Finally we introduce quantum diffusion via a response relating the current with the negative gradient of the charge density. With the aid of this response function we derive a quantum version of the Einstein relation and prove the existence of the diffusion pole in the zero-temperature electron-hole correlation function with the the long-range spatial fluctuations controlled by the static diffusion constant.
We report on a theoretical study of the transport properties of two coupled two-dimensional electron systems subject to in-plane magnetic fields. The charge redistribution in double wells induced by the Lorenz force in crossed electric and magnetic fields has been studied. We have found that the redistribution of the charge and the related inter-layer Hall effect originate in the chirality of diamagnetic currents and give a substantial contribution to the conductivity.
In double quantum wells electrons experience a Lorentz force oriented perpendicular to the structure plane when an electric current is driven perpendicular to the direction of an in-plane magnetic field. Consequently, the excess charge is accumulated in one of the wells. The polarization of a bilayer electron system and the corresponding Hall voltage are shown to contribute substantially to the in-plane conductivity.