Phonons, electron-phonon, and electron-plasmon coupling in C60 compounds.
作者： V. P. Antropov , O. Gunnarsson , A. I. Liechtenstein
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摘要: We have performed ab initio calculations for the Ag and Hg intramolecular phonon frequencies, using a full-potential linear muffin-tin-orbital (LMTO) method. The deviation from experiment is typically 5%. further calculated electron-phonon compling these modes, as well some alkali-metal libration both tight-binding initio, LMTO methods. illustrate that modes tedious Brillouin-zone sums can be replaced by free molecule, while simplification of this type not possible
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