Self-energy correction for the energy bands of silicon by the full-potential linearized augmented-plane-wave method: Effect of the valence-band polarization

Noriaki Hamada, Miaogy Hwang, Arthur J Freeman

Research output: Contribution to journalArticle

48 Citations (Scopus)

Abstract

A procedure is presented for calculating the electron self-energy within the dynamical GW approximation of Hedin (i.e., retaining the lowest term in the screened-Couloumb-interaction expansion) which utilizes eigenstates and eigenenergies generated by the full-potential linearized augmented-plane-wave method in the local-density approximation. For the dynamical dielectric matrix, we propose a new plasmon-pole model which has a suitable limit to the static dielectric matrix and has good behavior in a wide energy range. The self-energy is evaluated by using only the valence and conduction bands. Results of the numerical tests for silicon presented show that the Fourier representation for the dielectric matrix and the screened Coulomb interaction is useful for calculating the electron self-energy.

Original languageEnglish
Pages (from-to)3620-3626
Number of pages7
JournalPhysical Review B
Volume41
Issue number6
DOIs
Publication statusPublished - 1990

Fingerprint

Silicon
Valence bands
Band structure
energy bands
plane waves
Polarization
valence
silicon
polarization
Local density approximation
matrices
Electrons
Coulomb interactions
Conduction bands
energy
Poles
retaining
approximation
conduction bands
eigenvectors

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

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title = "Self-energy correction for the energy bands of silicon by the full-potential linearized augmented-plane-wave method: Effect of the valence-band polarization",
abstract = "A procedure is presented for calculating the electron self-energy within the dynamical GW approximation of Hedin (i.e., retaining the lowest term in the screened-Couloumb-interaction expansion) which utilizes eigenstates and eigenenergies generated by the full-potential linearized augmented-plane-wave method in the local-density approximation. For the dynamical dielectric matrix, we propose a new plasmon-pole model which has a suitable limit to the static dielectric matrix and has good behavior in a wide energy range. The self-energy is evaluated by using only the valence and conduction bands. Results of the numerical tests for silicon presented show that the Fourier representation for the dielectric matrix and the screened Coulomb interaction is useful for calculating the electron self-energy.",
author = "Noriaki Hamada and Miaogy Hwang and Freeman, {Arthur J}",
year = "1990",
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T1 - Self-energy correction for the energy bands of silicon by the full-potential linearized augmented-plane-wave method

T2 - Effect of the valence-band polarization

AU - Hamada, Noriaki

AU - Hwang, Miaogy

AU - Freeman, Arthur J

PY - 1990

Y1 - 1990

N2 - A procedure is presented for calculating the electron self-energy within the dynamical GW approximation of Hedin (i.e., retaining the lowest term in the screened-Couloumb-interaction expansion) which utilizes eigenstates and eigenenergies generated by the full-potential linearized augmented-plane-wave method in the local-density approximation. For the dynamical dielectric matrix, we propose a new plasmon-pole model which has a suitable limit to the static dielectric matrix and has good behavior in a wide energy range. The self-energy is evaluated by using only the valence and conduction bands. Results of the numerical tests for silicon presented show that the Fourier representation for the dielectric matrix and the screened Coulomb interaction is useful for calculating the electron self-energy.

AB - A procedure is presented for calculating the electron self-energy within the dynamical GW approximation of Hedin (i.e., retaining the lowest term in the screened-Couloumb-interaction expansion) which utilizes eigenstates and eigenenergies generated by the full-potential linearized augmented-plane-wave method in the local-density approximation. For the dynamical dielectric matrix, we propose a new plasmon-pole model which has a suitable limit to the static dielectric matrix and has good behavior in a wide energy range. The self-energy is evaluated by using only the valence and conduction bands. Results of the numerical tests for silicon presented show that the Fourier representation for the dielectric matrix and the screened Coulomb interaction is useful for calculating the electron self-energy.

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