Effects of molecular orientation on the electronic structure of fcc C60

Bing Lin Gu, Yutaka Maruyama, Jing Zhi Yu, Kaoru Ohno, Yoshiyuki Kawazoe

Research output: Contribution to journalArticlepeer-review

28 Citations (Scopus)

Abstract

We have investigated the effects of C60 molecular orientation on the electronic structure of fcc C60 solids by performing a band-structure calculation with self-consistent mixed-basis all-electron and full-potential approach within the local-density approximation. The degeneracies at special k points, the dispersion, and the widths of bands and the location of the valence-band maximum and the conduction-band minimum have been found to be sensitive to the orientation of the fullerenes in fcc lattices.

Original languageEnglish
Pages (from-to)16202-16206
Number of pages5
JournalPhysical Review B
Volume49
Issue number23
DOIs
Publication statusPublished - 1994

ASJC Scopus subject areas

  • Condensed Matter Physics

Fingerprint Dive into the research topics of 'Effects of molecular orientation on the electronic structure of fcc C60'. Together they form a unique fingerprint.

Cite this