Electronic structures of C70 crystalline phases

Kaoru Ohno, Jing Zhi Yu, Yutaka Maruyama, Yoshiyuki Kawazoe, Takashi Takahashi

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

By means of an all-electron mixed basis approach, band structures of the C70 crystalline phases are calculated for the first time for fcc, hcp (c/a = 1.633) and also sc structures with at most four molecules inside a unit cell. The resulting densities of states are compared with our photoemission and inverse photoemission data of C70 powder study and the best agreement between the experiment and the present theory is found for the hcp symmetry.

Original languageEnglish
Pages (from-to)367-372
Number of pages6
JournalChemical Physics Letters
Volume255
Issue number4-6
DOIs
Publication statusPublished - 1996 Jun 14

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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    Ohno, K., Yu, J. Z., Maruyama, Y., Kawazoe, Y., & Takahashi, T. (1996). Electronic structures of C70 crystalline phases. Chemical Physics Letters, 255(4-6), 367-372. https://doi.org/10.1016/0009-2614(96)00389-2