https://doi.org/10.1140/epjb/e2003-00197-0
Electron-phonon interaction in carbon clathrate hex-C40
Dipartimento di Scienza dei Materiali and
Istituto Nazionale per la Fisica della Materia,
Università degli Studi di Milano-Bicocca,
Via Cozzi 53, 20125 Milano, Italy
Corresponding author: a marco.bernasconi@unimib.it
Received:
21
March
2003
Published online:
23
July
2003
The electron-phonon interaction in Li-doped carbon clathrates hex-LiC40 and hex-Li2C40 has been investigated from first principles. Although the characteristic phonon frequency and electron-phonon interaction are large, the electronic density of states is relatively low which finally gives an electron-phonon coupling constant for Li2C40. Hole-doping is expected to provide higher Tc than n-doping in hex-C40.
PACS: 71.15.Mb – Density functional theory, local density approximation, gradient and other corrections / 74.70.Wz – Fullerenes and related materials / 74.10.+v – Occurrence, potential candidates
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2003