Hyperdiamond and hyperlonsdaleit: Possible crystalline phases of fullerene C28

Gotthard Seifert, Andrey N. Enyashin, Thomas Heine

Research output: Contribution to journalArticle

38 Citations (Scopus)

Abstract

Structures, energies of formation, electronic spectra and values of bulk moduli for crystalline modifications of small fullerene C28 with space groups Fd3m and P63 mmc are calculated at the density-functional based tight-binding level. Both solid phases of C28 have very similar characteristics, which are compared with those of crystals of other small fullerenes-C20 and C36. The important role of π component of the C-C bounds on the properties are shown.

Original languageEnglish
Article number012102
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume72
Issue number1
DOIs
Publication statusPublished - 2005

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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