A charge self-consistent LDA plus DMFT study of the spectral properties of hexagonal NiS

The electronic structure and spectral properties of hexagonal NiS have been studied in the high temperature paramagnetic phase and low temperature anti-ferromagnetic phase. The calculations have been performed using charge self-consistent density-functional theory in local density approximation combined with dynamical mean-field theory (LDA+DMFT). The photoemission spectra (PES) and optical properties have been computed and compared with the experimental data. Our results show that the dynamical correlation effects are important to understand the spectral and optical properties of NiS. These effects have been analyzed in detail by means of the computed real and imaginary part of the self-energy.

Delta-resonance effective mass in medium

Based on the relativistic chiral effective field theory, we study the effective mass of the Delta-resonance in medium by investigating the self-energy of the Delta-resonance related to the pi N decay channel in symmetric nuclear matter. We find that the effective mass of Delta-resonance decreases evidently with increasing nuclear density rho. In our calculation, we also consider the influence of the shifts of the nucleon mass, pion mass and its decay constant due to the restoration of chiral symmetry in medium. The results are roughly consistent with the data given by Lawrence Berkeley National Laboratory.

Theory of the near K-edge structure in electron energy loss spectroscopy

Arguments are given that lead to a formalism for calculating near K-edge structure in electron energy loss spectroscopy (EELS). This is essentially a one electron picture, while many body effects may be introduced at different levels, such as the local density approximation to density functional theory or the GW approximation to the electron self-energy. Calculations are made within the all electron LMTO scheme in crystals with complex atomic and electronic structures, and these are compared with experiment. (c) 2004 Elsevier B.V. All rights reserved.

Entropy of a correlated system of nucleons

Realistic nucleon-nucleon interactions induce correlations to the nuclear many-body system, which lead to a fragmentation of the single-particle strength over a wide range of energies and momenta. We address the question of how this fragmentation affects the thermodynamical properties of nuclear matter. In particular, we show that the entropy can be computed with the help of a spectral function, which can be evaluated in terms of the self-energy obtained in the self-consistent Green's function approach. Results for the density and temperature dependences of the entropy per particle for symmetric nuclear matter are presented and compared to the results of lowest order finite-temperature Brueckner-Hartree-Fock calculations. The effects of correlations on the calculated entropy are small, if the appropriate quasiparticle approximation is used. The results demonstrate the thermodynamical consistency of the self-consistent T-matrix approximation for the evaluation of the Green's functions.

Self-energies for interacting fields with a compactified spatial dimension

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Chiral corrections to baryon properties with composite pions

A calculational scheme is developed to evaluate chiral corrections to properties of composite baryons with composite pions. The composite baryons and pions are bound states derived from a microscopic chiral quark model. The model is amenable to standard many-body techniques such as the BCS and random phase approximation formalisms. An effective chiral model involving only hadronic degrees of freedom is derived from the macroscopic quark model by projection onto hadron states. Chiral loops are calculated using the effective hadronic Hamiltonian. A simple microscopic confining interaction is used to illustrate the derivation of the pion-nucleon form factor and the calculation of picnic self-energy corrections to the nucleon and Delta (1232) masses.

A QCD sum rule study of Theta(+) in nuclear matter

We consider a [ud](2)(s) over bar current, in the finite-density QCD sum rule approach, to investigate the scalar and vector self-energies of the recently observed pentaquark state Theta(+)(1540), propagating in nuclear matter. We find that, opposite to what was obtained for the nucleon, the vector self-energy is negative, and the scalar self-energy is positive. There is a substantial cancellation between them resulting in an attractive net self-energy of the same order as in the nucleon case. (C) 2004 Elsevier B.V. All rights reserved.

J/Psi-nuclear bound states

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Rho-omega mixing and neutron-proton self-energies in the Walecka model

We use the Walecka model to investigate the influence of the charge symmetry breaking ρ0-ω mixing interaction on the neutron-proton self-energy difference in nuclear matter. Using 2mρ〈ρ0|H|ω〉 = -4500 MeV2, and employing the Dirac-Hartree-Fock approximation, we find that the neutron-proton self-energy difference is a decreasing function of the nuclear matter density, and that it has a value of the order of 700 keV at the normal density. The results indicate that the Nolen-Schiffer anomaly might be explained by means of relativistic nuclear models in a similar way as it is explained by means of non-relativistic models.

Relating the quark and gluon condensâtes through the QCD vacuum energy

Using the Cornwall-Jackiw-Tomboulis effective potential for composite operators we compute the QCD vacuum energy as a function of the dynamical quark and gluon propagators, which are related to their respective condensâtes as predicted by the operator product expansion. The identification of this result to the vacuum energy obtained from the trace of the energy-momentum tensor allows us to study the gluon self-energy, verifying that it is fairly represented in the ultraviolet by the asymptotic behavior predicted by the operator product expansion, and in the infrared it is frozen at its asymptotic value at one scale of the order of the dynamical gluon mass. We also discuss the implications of this identity for heavy and light quarks. For heavy quarks we recover, through the vacuum energy calculation, the relation nij{filif)-îi(asl'n)GlivGllv obtained many years ago with QCD sum rules. ©2000 The American Physical Society.

Energy criterion to select the behavior of dynamical masses in technicolor models

We propose a quite general ansatz for the dynamical mass in technicolor models. We impose on this ansatz the condition that it should lead to the deepest minimum of energy. This criterion selects a particular form of the technifermion self energy. © 2002 Elsevier Science B.V. All rights reserved.

Ideas of four-fermion operators in electromagnetic form factor calculations

Four-fermion operators have been used in the past to link the quark-exchange processes in the interaction of hadrons with the effective meson-exchange amplitudes. In this paper, we apply the similar idea of a Fierz rearrangement to the self-energy and electromagnetic processes and focus on the electromagnetic form factors of the nucleon and the electron. We explain the motivation of using four-fermion operators and discuss the advantage of this method in computing electromagnetic processes. © 2013 American Physical Society.

Theory of strongly correlated electron systems. I. Intersite coulomb interaction and the approximation of renormalized fermions in total energy calculations

The diagrammatic strong-coupling perturbation theory (SCPT) for correlated electron systems is developed for intersite Coulomb interaction and for a nonorthogonal basis set. The construction is based on iterations of exact closed equations for many - electron Green functions (GFs) for Hubbard operators in terms of functional derivatives with respect to external sources. The graphs, which do not contain the contributions from the fluctuations of the local population numbers of the ion states, play a special role: a one-to-one correspondence is found between the subset of such graphs for the many - electron GFs and the complete set of Feynman graphs of weak-coupling perturbation theory (WCPT) for single-electron GFs. This fact is used for formulation of the approximation of renormalized Fermions (ARF) in which the many-electron quasi-particles behave analogously to normal Fermions. Then, by analyzing: (a) Sham's equation, which connects the self-energy and the exchange- correlation potential in density functional theory (DFT); and (b) the Galitskii and Migdal expressions for the total energy, written within WCPT and within ARF SCPT, a way we suggest a method to improve the description of the systems with correlated electrons within the local density approximation (LDA) to DFT. The formulation, in terms of renormalized Fermions LIDA (RF LDA), is obtained by introducing the spectral weights of the many electron GFs into the definitions of the charge density, the overlap matrices, effective mixing and hopping matrix elements, into existing electronic structure codes, whereas the weights themselves have to be found from an additional set of equations. Compared with LDA+U and self-interaction correction (SIC) methods, RF LDA has the advantage of taking into account the transfer of spectral weights, and, when formulated in terms of GFs, also allows for consideration of excitations and nonzero temperature. Going beyond the ARF SCPT, as well as RF LIDA, and taking into account the fluctuations of ion population numbers would require writing completely new codes for ab initio calculations. The application of RF LDA for ab initio band structure calculations for rare earth metals is presented in part 11 of this study (this issue). (c) 2005 Wiley Periodicals, Inc.

A probabilistic approach to the problem of electron localization in disordered systems and sharpness of the mobility edge

By applying the theory of the asymptotic distribution of extremes and a certain stability criterion to the question of the domain of convergence in the probability sense, of the renormalized perturbation expansion (RPE) for the site self-energy in a cellularly disordered system, an expression has been obtained in closed form for the probability of nonconvergence of the RPE on the real-energy axis. Hence, the intrinsic mobility mu (E) as a function of the carrier energy E is deduced to be given by mu (E)= mu 0exp(-exp( mod E mod -Ec) Delta ), where Ec is a nominal 'mobility edge' and Delta is the width of the random site-energy distribution. Thus mobility falls off sharply but continuously for mod E mod >Ec, in contradistinction with the notion of an abrupt 'mobility edge' proposed by Cohen et al. and Mott. Also, the calculated electrical conductivity shows a temperature dependence in qualitative agreement with experiments on disordered semiconductors.

Dynamics of capacitively coupled double quantum dots

We consider a double dot system of equivalent, capacitively coupled semiconducting quantum dots, each coupled to its own lead, in a regime where there are two electrons on the double dot. Employing the numerical renormalization group, we focus here on single-particle dynamics and the zero-bias conductance, considering in particular the rich range of behaviour arising as the interdot coupling is progressively increased through the strong-coupling (SC) phase, from the spin-Kondo regime, across the SU(4) point to the charge-Kondo regime, and then towards and through the quantum phase transition to a charge-ordered ( CO) phase. We first consider the two-self-energy description required to describe the broken symmetry CO phase, and implications thereof for the non-Fermi liquid nature of this phase. Numerical results for single-particle dynamics on all frequency scales are then considered, with particular emphasis on universality and scaling of low-energy dynamics throughout the SC phase. The role of symmetry breaking perturbations is also briefly discussed.