Density and current response functions in strongly disordered electron systems: Diffusion, electrical conductivity and Einstein relation

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.Comment: 16 pages, REVTeX4, 6 EPS figure

Unified character of correlation effects in unconventional Pu-based superconductors and \delta-Pu

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 \delta-Pu. The 5f-local magnetic moment is compensated by a moment formed in the surrounding cloud of conduction electrons. For PuCoGa_5 and \delta-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.Comment: 5 pages, 3 figure

Many-body nodal hypersurface and domain averages for correlated wave functions

We outline the basic notions of nodal hypersurface and domain averages for antisymmetric wave functions. We illustrate their properties and analyze the results for a few electron explicitly solvable cases and discuss possible further developments

The magnetic exciton of EuS revealed by resonant inelastic x-ray scattering

We report the valence-to-core resonant inelastic x-ray scattering (RIXS) of EuS measured at the L3 edge of Eu. The obtained data reveal two sets of excitations: one set is composed of a hole in the S 3p bands and an electron excited to extended Eu 5d band states, the other is made up from a hole in the Eu 4f states and an electron in localized Eu 5d states bound to the 4f hole by its Coulomb potential. The delocalized excitations arise from the dipole-allowed 5d to 2p emissions, whereas the localized excitations result from the dipole-forbidden (quadrupole-allowed) 4f to 2p emissions. Both these emission channels have a comparable intensity thanks to a small number of occupied 5d states (approximately 0.6) combined with a large number of occupied 4f states (seven). We identify the localized electron-hole pairs with the "magnetic excitons" suggested in the past as an interpretation of the sharp features seen in the optical absorption spectra. Our observations provide a direct experimental evidence of these excitons which has been missing up to now.Comment: 7 pages, 4 figures, supplemental material (PDF, 8 pages) added as an ancillary fil

Transition metal oxides using quantum Monte Carlo

The transition metal-oxygen bond appears prominently throughout chemistry and solid-state physics. Many materials, from biomolecules to ferroelectrics to the components of supernova remnants contain this bond in some form. Many of these materials' properties strongly depend on fine details of the TM-O bond and intricate correlation effects, which make accurate calculations of their properties very challenging. We present quantum Monte Carlo, an explicitly correlated class of methods, to improve the accuracy of electronic structure calculations over more traditional methods like density functional theory. We find that unlike s-p type bonding, the amount of hybridization of the d-p bond in TM-O materials is strongly dependant on electronic correlation.Comment: 20 pages, 4 figures, to appear as a topical review in J. Physics: Condensed Matte

Strong-coupling d-wave superconductivity in PuCoGa5 probed by point-contact spectroscopy

Superconductivity is due to an attractive interaction between electrons that, below a critical temperature, drives them to form Cooper pairs and to condense into a ground state separated by an energy gap from the unpaired states. In the simplest cases, the pairing is mediated by lattice vibrations and the wavefunction of the pairs is isotropic. Less conventional pairing mechanisms can favour more exotic symmetries of the Cooper pairs. Here, we report on point-contact spectroscopy measurements in PuCoGa5, a moderate heavy-fermion superconductor with a record high critical temperature Tc=18.5 K. The results prove that the wavefunction of the paired electrons has a d-wave symmetry, with four lobes and nodes, and show that the pairing is likely to be mediated by spin fluctuations. Electronic structure calculations, which take into account the full structure of the f-orbital multiplets of Pu, provide a hint of the possible origin of these fluctuations