Comparative study of the density of states of graphite and BC3

Renata M. Wentzcovitch, Marvin L. Cohen, Steven G. Louie

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We indicate important differences between the density of states (DOS) of the new layered material BC3 and that of graphite. They derive from the proposed structure of BC3 and should provide evidence for the atomic arrangement in this material. Their signature seems to be present in electron energy loss (EELS) spectra and could be searched for in other types of experiments which probe the energy distribution of electrons as near edge X-ray absorption fine structure spectroscopy (NEXAFS).

Original languageEnglish (US)
Pages (from-to)457-460
Number of pages4
JournalPhysics Letters A
Issue number7-8
StatePublished - Sep 5 1988

Bibliographical note

Funding Information:
R.M.W acknowledges Conselho Nacional de De-senvolvimento Cientifico e Tecnol6gico, CNPq, from Brazil for financial support in the initial stages of this work. S.G.L acknowledges the support of the Center for Advanced Materials at Lawrence Berkeley Laboratory. This work was supported by NSF Grant No. DMR8319024 and by the Director, Office of Energy Research, Office of Basic Energy Sciences, Material Science Division of the US Department of Energy under Contract No. DE-AC03-76SF00098. Cray computer time was provided by the Office of Energy Research of the Department of Energy.


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