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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 . 1991 . Peer-reviewed
License: APS Licenses for Journal Article Re-use
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Electronic correlations of cubic boron nitride

Authors: , Ganduglia-Pirovano; , Stollhoff;

Electronic correlations of cubic boron nitride

Abstract

We have calculated total and binding energies of zinc-blende-structure boron nitride. Starting from a self-consistent-field ground-state calculation within a finite basis of Gaussian orbitals centered at the different atoms, the electron correlations were treated by applying the local ansatz. The electronic correlations are predominantly short ranged, as was also found for its isostructural compound, diamond. Of specific importance are correlations on the atomic scale. Electrons correlate strongly at the nitrogen atoms. The correlation strength within the B-N bonds and the reduction of the total-atomic-charge fluctuations is discussed in detail. For an agreement between calculated and experimental binding energies, additional basis functions on interstitial sites turned out to be necessary. Without them, correlations in the interstitial regions are too poorly covered. Such an effect should be relevant for all future calculations on open-structure materials. The final results for the binding energy compare well with calculations made within the local-density approximation.

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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%
Average
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