English

Madelung Energy of the Valence Skipping Compound BaBiO$_3$

Strongly Correlated Electrons 2009-11-13 v1 Superconductivity

Abstract

Several elements show valence skip fluctuation, for instance, Tl forms the compounds in valence states +1 and +3, and Bi forms in +3 and +5 states. This kind of fluctuation gives rise to a negative effective attractive interaction and the Kondo effect. In the compounds of valence skipping elements, the carrier doping will induce superconductivity with high critical temperature. For example, Ba1x_{1-x}Kx_xBiO3_3 shows high TcT_c which is unlikely from the conventional electron-phonon mechanism. The reason for the missing of some valence states in such valence skip compounds remains a mystery. We have performed the evaluation of the Madelung potential for BaBiO3_3, and have shown for the first time that charge-ordered state is stabilized if we take into account the polarization of the oxygen charge. We argue that the effective Coulomb interaction energy UU may be negative evaluating the local excitation energy.

Keywords

Cite

@article{arxiv.0712.3097,
  title  = {Madelung Energy of the Valence Skipping Compound BaBiO$_3$},
  author = {Izumi Hase and Takashi Yanagisawa},
  journal= {arXiv preprint arXiv:0712.3097},
  year   = {2009}
}