T. Ito et H. Kamimura, NEW MECHANISM OF IONIC-CONDUCTIVITY IN HYDROGEN-BONDED CRYSTALS M3H(XO4)(2) [M=RB, CS, X=S, SE], Journal of the Physical Society of Japan, 67(6), 1998, pp. 1999-2007
A model for the mechanism of ionic conductivity in the high temperatur
e paraelastic phase of M3H(XO4)(2) [M=Rb, Cs; X=S, Se] type crystals i
s proposed. The key features of the conduction mechanism are the follo
wing; (1) two kinds of defect states, H2XO4(+e) and XO4(-e) are formed
thermally by breaking of a hydrogen-bond; (2) the H2XO4(+e) defect st
ate and the XO4(-e) defect state move coherently from an XO4 tetrahedr
on to a distant XO4 as the result of successive proton tunneling among
hydrogen-bonds. The density of states and the mobility are calculated
for the coherent motions of these defect states by the recursion meth
od and the Kubo formula, respectively. The density of states shows the
characteristic feature of the Bethe lattice, i.e., the twin peak stru
cture due to self-similarity, while the conductivity is obtained as an
order of a magnitude of 10(-3)Omega(-1)cm(-1) at the ferroelastic tra
nsition temperature, consistent with experiments.