Madelung Energy of the Valence Skipping Compound BaBiO$_3$
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, BaKBiO shows high 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 BaBiO, 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 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}
}