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37. Electronic structure of first, second, and third stage lithium intercalated graphite compounds

✍ Scribed by N.A.W. Holzwarth; S.G. Louie; S. Rabii

Publisher: Elsevier Science
Year: 1982
Tongue: English
Weight: 127 KB
Volume: 20
Category: Article
ISSN: 0008-6223
DOI: 10.1016/0008-6223(82)90456-0

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✦ Synopsis

We report the results of self-consistent band structure calculations for Li&, LiC,*, and LiCls in idealized crystal structures representing first, second, and third stage intercalation compounds. Results for LiC,* indicate that 90% of the net excess charge is localized in the region between the two graphite planes facing the Li ions. In contrast, only 40% of the conduction electron charge is localized in that region.

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