Inverse isotope effects in the superconductivity of acenes: A theoretical study

Takashi Kato, Kazunari Yoshizawa, Tokio Yamabe

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

Electron-phonon coupling constants are calculated for organic molecular crystals of anthracene, tetracene, and pentacene and their full deuterides. We find that the low-frequency C-C-C in-plane modes of 200-400cm-1 and the C-C stretching modes of 1400-1600cm-1 play an important role in the electron-phonon coupling in these acenes. Inverse isotope effects for hydrogen-deuterium substitution are predicted in the superconductivity of acenes. Such inverse isotope effects can be explained by electron-phonon couplings in the C-C stretching modes, which significantly increase by deuterium substitution.

Original languageEnglish
Pages (from-to)125-131
Number of pages7
JournalChemical Physics Letters
Volume345
Issue number1-2
DOIs
Publication statusPublished - Sep 7 2001

    Fingerprint

All Science Journal Classification (ASJC) codes

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

Cite this