TY - JOUR
T1 - Inverse isotope effects in the superconductivity of acenes
T2 - A theoretical study
AU - Kato, Takashi
AU - Yoshizawa, Kazunari
AU - Yamabe, Tokio
N1 - Funding Information:
This work was supported by the `Research for the Future' Program from Japan Society for the Promotion of Science (JSPS-RFTF96P00206) to T. Yamabe and by a grant-in-aid for Scientific Research on the Priority Area `Molecular Physical Chemistry' from the Ministry of Education, Science and Culture of Japan to K. Yoshizawa. T. Kato is grateful to a Research Fellowship from the JSPS.
PY - 2001/9/7
Y1 - 2001/9/7
N2 - 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.
AB - 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.
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U2 - 10.1016/S0009-2614(01)00839-9
DO - 10.1016/S0009-2614(01)00839-9
M3 - Article
AN - SCOPUS:0012906028
SN - 0009-2614
VL - 345
SP - 125
EP - 131
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-2
ER -