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image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao https://doi.org/10.1...arrow_drop_down
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
https://doi.org/10.1103/physre...
Article . 1985 . Peer-reviewed
License: APS Licenses for Journal Article Re-use
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Charge densities and quasi-ions in lattice dynamics

Authors: , Falter; , Selmke; , Ludwig; , Kunc;

Charge densities and quasi-ions in lattice dynamics

Abstract

In the preceding paper we have proposed a decomposition of the total charge density of a crystal into contributions which can be uniquely assigned to the individual ions or sublattices. This decomposition leads naturally to a definition of ``quasi-ions'' and a description of the chemical bonds in terms of partial charge densities of the respective ions. In the present work the partial charge distributions are used for achieving a decomposition of the displacement-induced charge-density variations into two parts: one which rigidly follows the motion of the ions and another one that distorts during the motion. The relevant quantities are expressed in terms of linear-response theory and their influence on the phonon dispersion and the force constants is discussed. The decomposition of the phonon-induced charge-density variations is performed quantitatively for Si and it is shown that the distortion part is small. The results lead to a new class of models for lattice dynamics based on the partial charge densities.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
20
Average
Top 10%
Top 10%
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