Cluster expansion for the self-energy: A simple many-body method for interpreting the photoemission spectra of correlated Fermi systems

doi:https://doi.org/10.1103/PhysRevB.48.418

Title: Cluster expansion for the self-energy: A simple many-body method for interpreting the photoemission spectra of correlated Fermi systems

Full Record
Other Related Research

Abstract

The self-energy of a translational invariant system of interacting fermions may be expanded in diagrams contributing to the self-energy of finite clusters with open boundary conditions. The exact solution of small clusters might therefore be used to construct a systematic approximation to the self-energy of the infinite system. This approximation incorporates both the local and the itinerant degrees of freedom on an equal footing. We develop this method for the one-band Hubbard Hamiltonian and apply it to the three-band Hamiltonian of the CuO superconductors. Already the lowest nontrivial approximation yields interesting results for the spectral density useful for the interpretation of photoemission experiments. We find (i) transfer of spectral weight from the upper to the lower Hubbard band upon doping, (ii) the formation of an [ital isolated] band of Zhang-Rice singlets separated from the band of triplet states by a many-body gap, and (iii) creation of density of states [ital above] the top of the oxygen band upon doping.

Authors:

Gros, C; Valenti, R ^[1]

Institut fuer Physik, Universitaet Dortmund, Postfach 500 500, 4600 Dortmund 50 (Germany)

Publication Date:: 1993-07-01

OSTI Identifier:: 5654297

Resource Type:: Journal Article

Journal Name:: Physical Review, B: Condensed Matter; (United States)

Additional Journal Information:: Journal Volume: 48:1; Journal ID: ISSN 0163-1829

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; COPPER OXIDES; CLUSTER EXPANSION; PHOTOEMISSION; HIGH-TC SUPERCONDUCTORS; CORRELATED-PARTICLE MODELS; CRYSTAL DOPING; FERMI STATISTICS; HUBBARD MODEL; SELF-ENERGY; CHALCOGENIDES; COPPER COMPOUNDS; CRYSTAL MODELS; EMISSION; ENERGY; MATHEMATICAL MODELS; OXIDES; OXYGEN COMPOUNDS; PARTICLE MODELS; SECONDARY EMISSION; SERIES EXPANSION; SUPERCONDUCTORS; TRANSITION ELEMENT COMPOUNDS; 360207* - Ceramics, Cermets, & Refractories- Superconducting Properties- (1992-)

Citation Formats


                    Gros, C, and Valenti, R. Cluster expansion for the self-energy: A simple many-body method for interpreting the photoemission spectra of correlated Fermi systems.  United States: N. p., 1993. 
        Web.  doi:10.1103/PhysRevB.48.418.

Copy to clipboard


                    Gros, C, & Valenti, R. Cluster expansion for the self-energy: A simple many-body method for interpreting the photoemission spectra of correlated Fermi systems.  United States.  https://doi.org/10.1103/PhysRevB.48.418

Copy to clipboard


                    Gros, C, and Valenti, R. Thu .  
        "Cluster expansion for the self-energy: A simple many-body method for interpreting the photoemission spectra of correlated Fermi systems".  United States.  https://doi.org/10.1103/PhysRevB.48.418.

Copy to clipboard


                    
@article{osti_5654297,

  title        = {Cluster expansion for the self-energy: A simple many-body method for interpreting the photoemission spectra of correlated Fermi systems},

  author       = {Gros, C and Valenti, R},

  abstractNote = {The self-energy of a translational invariant system of interacting fermions may be expanded in diagrams contributing to the self-energy of finite clusters with open boundary conditions. The exact solution of small clusters might therefore be used to construct a systematic approximation to the self-energy of the infinite system. This approximation incorporates both the local and the itinerant degrees of freedom on an equal footing. We develop this method for the one-band Hubbard Hamiltonian and apply it to the three-band Hamiltonian of the CuO superconductors. Already the lowest nontrivial approximation yields interesting results for the spectral density useful for the interpretation of photoemission experiments. We find (i) transfer of spectral weight from the upper to the lower Hubbard band upon doping, (ii) the formation of an [ital isolated] band of Zhang-Rice singlets separated from the band of triplet states by a many-body gap, and (iii) creation of density of states [ital above] the top of the oxygen band upon doping.},

  doi          = {10.1103/PhysRevB.48.418},

  url          = {https://www.osti.gov/biblio/5654297},
  journal      = {Physical Review, B: Condensed Matter; (United States)},

  issn         = {0163-1829},

  number       = ,

  volume       = 48:1,

  place        = {United States},

  year         = {1993},

  month        = {7}

}

Copy to clipboard

Journal Article:

https://doi.org/10.1103/PhysRevB.48.418

Other availability

Find in Google Scholar

Search WorldCat to find libraries that may hold this journal

Save / Share:

Export Metadata

Save to My Library

Similar records in OSTI.GOV collections:

Spectral function of holes in the Emery model

Journal Article Unger, P ; Fulde, P - Physical Review, B: Condensed Matter; (United States)

We calculate the single-particle excitation spectrum of holes in the Emery model thereby extending and improving previous calculations. The system is considered at half filling ([ital n][sub [ital h]]=1, one hole per CuO[sub 2] unit) and for hole doping, where the on-site hole-hole repulsions are kept finite. A paramagnetic form of the ground state is used. For the determination of the retarded Green's functions of copper and oxygen holes, the projection technique is applied solving the resulting equations of motions self-consistently. At half filling, the excitation spectrum exhibits a charge-transfer gap bounded by Zhang-Rice singlet states and the upper Hubbardmore »« less
https://doi.org/10.1103/PhysRevB.48.16607
Mechanism of hole attraction in the extended Hubbard model

Journal Article Sherman, A V - Physical Review, B: Condensed Matter; (United States)

The expansion in the Cu-O hybridization energy, [ital t], usually used for the simplification of the extended Hubbard Hamiltonian, is shown to meet with difficulties for the known parameters of CuO[sub 2] planes of cuprate perovskites. An expansion in a power series in [lambda][ital t], [lambda][approx]0.1, is suggested, which is applicable for these values of parameters and in which the Hubbard repulsion and the Cu-O hybridization are considered on an equal footing. A Hamiltonian obtained with the help of the expansion for the lower part of the energy spectrum, is equivalent to the [ital t]-[ital J] Hamiltonian and the correspondingmore »« less
https://doi.org/10.1103/PhysRevB.47.11521
Theory of photoemission and inverse-photoemission spectra of highly correlated electron systems: A weak-coupling 1/ N expansion

Journal Article Riseborough, P S - Physical Review (Section) B: Condensed Matter; (USA)

An {ital N}-fold-degenerate Hubbard model is examined in the weak-coupling regime. The one-electron Green's function is calculated from a systematic expansion of the irreducible self-energy in powers of 1/{ital N}. To lowest order in the expansion, one obtains a trivial mean-field theory. In the next leading order in 1/{ital N}, one finds that the dynamics are dominated by bosonlike collective excitations. The resulting expansion has the characteristics of the standard weak-coupling field theory, except the inclusion of the 1/{ital N} factors extends the regime of applicability to include Stoner-like enhancement factors which can be {ital N} times larger. The jointmore »« less
https://doi.org/10.1103/PhysRevB.40.8131
Optical, magnetic, and single-particle excitations in the multiband Hubbard model for cuprate superconductors

Journal Article Wagner, J ; Hanke, W ; Scalapino, D J - Physical Review, B: Condensed Matter; (USA)

On the basis of exact diagonalizations, a comparative study of two-particle optical and magnetic, as well as single-particle, excitations is presented for a two-dimensional (2D) multiorbital Hubbard model. For reasonable parameter sets appropriate for the cuprate superconductors, the single-particle excitations display strongly correlated states related to the Zhang-Rice Cu-O singlet construction. These states define the gap (to the upper Hubbard band) at half-filling and become partially occupied by doping holes in our 2{times}2 unit-cell system. The optical results, which are the first quantitative calculations performed for realistic parameters of the three-band Hubbard model, clearly show three allowed optical transitions: (i)more »« less
https://doi.org/10.1103/PhysRevB.43.10517
Doping dependence of high-energy spectral weights for the high- T sub c cuprates

Journal Article Eskes, H ; Sawatzky, G A - Physical Review, B: Condensed Matter; (USA)

In this paper we present calculations of the photo- and inverse photoemission spectra, and the O 1{ital s} and Cu 2{ital p} core-level spectra for the high-{ital T}{sub {ital c}} materials, using a multiband Hubbard Hamiltonian. The spectra are obtained for small clusters containing two Cu atoms (Cu{sub 2}O{sub 7} and Cu{sub 2}O{sub 8}) for the undoped, electron-doped, and hole-doped cases. In order to investigate the sensitivity of the spectra to cluster size and localized versus delocalized oxygen levels, a comparison is made with a ({bold k}-dependent) impurity approach and results from a CuO{sub 4} cluster. Special attention is paidmore »« less
https://doi.org/10.1103/PhysRevB.43.119

Similar Records