Normal-Mode Analysis for Intra- and Intermolecular Electron-Phonon Coupled Systems with Charge-Ordered and Dimer-Mott Ground States

@inproceedings{Nishioka2013NormalModeAF,
  title={Normal-Mode Analysis for Intra- and Intermolecular Electron-Phonon Coupled Systems with Charge-Ordered and Dimer-Mott Ground States},
  author={Keita Nishioka and Kenji Yonemitsu},
  year={2013}
}
We have theoretically studied the ground-state properties of the molecular compound, Et2Me2Sb[Pd(dmit)2]2, which shows a dimer–Mott character in Pd(dmit)2 layers at high temperature and a charge order mainly stabilized by an electron–phonon interaction at low temperature. An effective extended Peierls–Hubbard model is constructed with intra- and intermolecular electronic and phonon degrees of freedom. Using mean-field approximation, the energies and optimized structures are calculated for… CONTINUE READING