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https://doi.org/10.1103/physre...
Article . 1974 . Peer-reviewed
License: APS Licenses for Journal Article Re-use
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Electronic structure of silicon

Authors: Chelikowsky, James R.; Cohen, Marvin L.;

Electronic structure of silicon

Abstract

It is shown that a purely local-pseudopotential calculation is able to accurately reproduce the major optical gaps and cyclotron masses. However, deviations from the experimental results become manifest in photoemission and x-ray charge-density results as we extend our calculations to the lower valence bands. These deviations indicate the necessity of an energy-dependent nonlocal $s$-well potential, a conclusion which is also supported by an analysis of the Heine-Abarenkov pseudopotential scheme. A detailed comparison is made between experimental results obtained from optical, photoemission, x-ray, and cyclotron-resonance measurements, and the results of both the local calculation and an energy-dependent nonlocal calculation. Yang and Coppens's recent determination of the valence charge density in silicon makes it possible to assess the accuracy of the pseudocharge densities for the first time.

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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!
344
Top 10%
Top 0.1%
Top 1%
Green