Electron-phonon interaction in carbon clathrate hex-C_(40)

摘要

The electron-phonon interaction in Li-doped carbon clathrates hex-LiC_(40) and hex-Li_2C_(40) 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 λ = 0.46 for Li_2C_(40). Hole-doping is expected to provide higher T_c than n-doping in hex-C_(40).