Search results for "Anderson impurity model"
showing 10 items of 26 documents
The Electronic Structure of Hexagonal BaCoO3
1999
Abstract TB–LMTO–ASA band structure calculations within the local spin density approximation have been performed to explain the magnetic and transport properties of BaCoO3. The calculations predict a magnetic and metallic ground state as energetically favored. BaCoO3 shows no long-range magnetic ordering, however, and only poor conductivity. The magnetic energy is low and the compound shows glassy susceptibility behavior at low temperatures. From the band structure we find Mott–Hubbard localization to be unlikely, and instead propose Anderson localization as a possible origin of the observed behavior. Calculations on slightly distorted structures exclude the possibility of a Peierls distort…
Quantum critical point in a periodic Anderson model
2000
We investigate the symmetric Periodic Anderson Model (PAM) on a three-dimensional cubic lattice with nearest-neighbor hopping and hybridization matrix elements. Using Gutzwiller's variational method and the Hubbard-III approximation (which corresponds to the exact solution of an appropriate Falicov-Kimball model in infinite dimensions) we demonstrate the existence of a quantum critical point at zero temperature. Below a critical value $V_c$ of the hybridization (or above a critical interaction $U_c$) the system is an {\em insulator} in Gutzwiller's and a {\em semi-metal} in Hubbard's approach, whereas above $V_c$ (below $U_c$) it behaves like a metal in both approximations. These prediction…
SPATIAL MULTIFRACTALITY OF ELECTRONIC STATES AND THE METAL-INSULATOR TRANSITION IN DISORDERED SYSTEMS
1993
For the investigation of the spatial behavior of electronic wave functions in disordered systems, we employ the Anderson model of localization. The eigenstates of the corresponding Hamiltonian are calculated numerically by means of the Lanczos algorithm and are analyzed with respect to their spatial multifractal properties. We find that the wave functions show spatial multifractality for all parameter cases not too far away from the metal-insulator transition (MIT) which separates localized from extended states in this model. Exactly at the MIT, multifractality is expected to exist on all length scales larger than the lattice spacing. It is found that the corresponding singularity spectrum…
Partial self-consistency and analyticity in many-body perturbation theory: Particle number conservation and a generalized sum rule
2016
We consider a general class of approximations which guarantees the conservation of particle number in many-body perturbation theory. To do this we extend the concept of $\Phi$-derivability for the self-energy $\Sigma$ to a larger class of diagrammatic terms in which only some of the Green's function lines contain the fully dressed Green's function $G$. We call the corresponding approximations for $\Sigma$ partially $\Phi$-derivable. A special subclass of such approximations, which are gauge-invariant, is obtained by dressing loops in the diagrammatic expansion of $\Phi$ consistently with $G$. These approximations are number conserving but do not have to fulfill other conservation laws, such…
Electronic Structure Changes across the Metamagnetic Transition in FeRh via Hard X-Ray Photoemission
2012
International audience; Stoichiometric FeRh undergoes a temperature-induced antiferromagnetic (AFM) to ferromagnetic (FM) transition at similar to 350 K. In this Letter, changes in the electronic structure accompanying this transition are investigated in epitaxial FeRh thin films via bulk-sensitive valence-band and core-level hard x-ray photoelectron spectroscopy with a photon energy of 5.95 keV. Clear differences between the AFM and FM states are observed across the entire valence-band spectrum and these are well reproduced using density-functional theory. Changes in the 2p core levels of Fe are also observed and interpreted using Anderson impurity model calculations. These results indicat…
Understanding the2pcore-level spectra of manganese: Photoelectron spectroscopy experiments and Anderson impurity model calculations
2007
Using high-resolution core-level photoelectron spectroscopy and modified Anderson impurity model calculations, we study the $\mathrm{Mn}\phantom{\rule{0.2em}{0ex}}2p$ spectrum of manganese metal and resolve the current debate about its spectral shape. An unusual satellite feature, $1\phantom{\rule{0.3em}{0ex}}\mathrm{eV}$ from the main peak, is observed in the $\mathrm{Mn}\phantom{\rule{0.2em}{0ex}}2{p}_{3∕2}$ spectrum of a thick Mn layer grown on Al. It originates from intra-atomic multiplet effect related to Mn atoms with large local moment. The satellite decreases in intensity for thin Mn layers and for Al deposition on bulklike Mn because of enhanced $\mathrm{Mn}\phantom{\rule{0.2em}{0e…
Level statistics and Anderson delocalization in two-dimensional granular materials
2020
Contrary to the theoretical predictions that all waves in two-dimensional disordered materials are localized, Anderson localization is observed only for sufficiently high frequencies in an isotropically jammed two-dimensional disordered granular packing of photoelastic disks. More specifically, we have performed an experiment in analyzing the level statistics of normal mode vibrations. We observe delocalized modes in the low-frequency boson-peak regime and localized modes in the high frequency regime with the crossover frequency just below the Debye frequency. We find that the level-distance distribution obeys Gaussian-Orthogonal-Ensemble (GOE) statistics, i.e. Wigner-Dyson distribution, in…
Spatial multifractal properties of wave packets in the Anderson model of localization.
1993
The multifractal properties of electronic wave functions in disordered samples are investigated. In a given energy range all eigenstates are determined for the same disorder configuration in the Anderson model of localization. It is shown that the singularity spectrum and the generalized dimensions change only slowly with energy, aside from statistical fluctuations. More important, the wave packet constructed by linear combination of the eigenstates shows quantitatively the same multifractal properties. Consequences for the transport properties of electronic states in disordered systems are discussed.
Comparative study of many-body perturbation theory and time-dependent density functional theory in the out-of-equilibrium Anderson model
2011
We study time-dependent electron transport through an Anderson model. The electronic interactions on the impurity site are included via the self-energy approximations at Hartree-Fock (HF), second Born (2B), GW, and T-matrix levels as well as within a time-dependent density functional (TDDFT) scheme based on the adiabatic Bethe-ansatz local density approximation (ABALDA) for the exchange-correlation potential. The Anderson model is driven out of equilibrium by applying a bias to the leads, and its nonequilibrium dynamics is determined by real-time propagation. The time-dependent currents and densities are compared to benchmark results obtained with the time-dependent density matrix renormali…
The multifractal character of the electronic states in disordered two-dimensional systems
1995
The nature of electronic states in disordered two-dimensional (2D) systems is investigated. With this aim, we present our calculations of both density of states and d.c. conductivity for square lattices modelling the Anderson Hamiltonian with on-site energies randomly chosen from a box distribution of width W. For weak disorder (W), the eigenfunctions calculated by means of the Lanczos diagonalization algorithm display spatial fluctuations reflecting their (multi)fractal behaviour. For increasing disorder the observed increase of the curdling of the wavefunction reflects its stronger localization. However, as a function of energy, the eigenstates at energy mod E mod /V approximately=1.5 are…