Advanced

Dielectric response in insulators: A wave-vector- and frequency-dependent model

Michiels, J. J. M.; Hedin, Lars LU and Inglesfield, John E. (1994) In Physical Review B 50. p.11386-11386
Abstract
We have calculated a random-phase-approximation-type expression for the dielectric response function of several large-band-gap insulators using a development of the model suggested by Fry. This model should be good for systems with well-localized valence-electron functions and flat valence-electron bands. We show that in this model it is a minor approximation to use spherically symmetric bands in the integration over reciprocal space. This allows simple and fast evaluations of our expressions, thus avoiding Brillouin-zone integrations and summations over band indices. The results of our calculations are compared with ab initio data on static dielectric matrices from Baldereschi, with model calculations on the static dielectric function... (More)
We have calculated a random-phase-approximation-type expression for the dielectric response function of several large-band-gap insulators using a development of the model suggested by Fry. This model should be good for systems with well-localized valence-electron functions and flat valence-electron bands. We show that in this model it is a minor approximation to use spherically symmetric bands in the integration over reciprocal space. This allows simple and fast evaluations of our expressions, thus avoiding Brillouin-zone integrations and summations over band indices. The results of our calculations are compared with ab initio data on static dielectric matrices from Baldereschi, with model calculations on the static dielectric function from Rezvani and Friauf and with electron-energy-loss spectra for LiF from Fields et al., using only one fit parameter. In addition, the Johnson f-sum rule is tested for this model. We also verify that our approximation gives the correct singular behavior of the (0,K) matrix elements. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review B
volume
50
pages
11386 - 11386
publisher
American Physical Society
external identifiers
  • Scopus:0001678880
ISSN
1550-235X
DOI
10.1103/PhysRevB.50.11386
language
English
LU publication?
yes
id
8a1ffd43-972c-418e-aa90-2ab3f5612364 (old id 8820537)
date added to LUP
2016-02-29 23:23:29
date last changed
2016-10-13 04:57:47
@misc{8a1ffd43-972c-418e-aa90-2ab3f5612364,
  abstract     = {We have calculated a random-phase-approximation-type expression for the dielectric response function of several large-band-gap insulators using a development of the model suggested by Fry. This model should be good for systems with well-localized valence-electron functions and flat valence-electron bands. We show that in this model it is a minor approximation to use spherically symmetric bands in the integration over reciprocal space. This allows simple and fast evaluations of our expressions, thus avoiding Brillouin-zone integrations and summations over band indices. The results of our calculations are compared with ab initio data on static dielectric matrices from Baldereschi, with model calculations on the static dielectric function from Rezvani and Friauf and with electron-energy-loss spectra for LiF from Fields et al., using only one fit parameter. In addition, the Johnson f-sum rule is tested for this model. We also verify that our approximation gives the correct singular behavior of the (0,K) matrix elements.},
  author       = {Michiels, J. J. M. and Hedin, Lars and Inglesfield, John E.},
  issn         = {1550-235X},
  language     = {eng},
  pages        = {11386--11386},
  publisher    = {ARRAY(0x7d6ac20)},
  series       = {Physical Review B},
  title        = {Dielectric response in insulators: A wave-vector- and frequency-dependent model},
  url          = {http://dx.doi.org/10.1103/PhysRevB.50.11386},
  volume       = {50},
  year         = {1994},
}