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

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Superconductivity
Isotopes
isotope effect
superconductivity
Deuterium
Stretching
Electrons
deuterium
Substitution reactions
substitutes
deuterides
Molecular crystals
electrons
anthracene
Hydrogen
low frequencies
hydrogen
crystals

All Science Journal Classification (ASJC) codes

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

Cite this

Inverse isotope effects in the superconductivity of acenes : A theoretical study. / Kato, Takashi; Yoshizawa, Kazunari; Yamabe, Tokio.

In: Chemical Physics Letters, Vol. 345, No. 1-2, 07.09.2001, p. 125-131.

Research output: Contribution to journalArticle

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