Solid State Ionics, Vol.180, No.6-8, 471-474, 2009
Theory of superionic conduction in hydrogen-bonded systems
Among superionic conduction phenomena in various ionic materials, the conduction phenomenon associated with the motion of protons in hydrogen-bonded systems has aroused considerable interests with regard to a problem of whether the proton motion should be treated quantum mechanically or classically. In this paper we first describe a quantum mechanical mechanism of proton-induced ionic conduction in the superionic phase in zero-dimensional hydrogen-bonded M3H(XO4)(2) [M = K, Rb, Cs, X = S,Se] materials, by giving a brief review on the theory developed by Ito and Kamimura. Then we discuss the characteristic difference between quantum mechanical and clasiical mechanisms in the case of proton-induced superionic condcuction, in paticular, by comparing characteristic time scales in quantum mechanical and classical diffusions in hydrogen-bonded systems. Finally a prediction is made on an anomalous behavior of terahertz spectra for Rb3H(SeO4)(2). (C) 2008 Elsevier B.V. All rights reserved.
Keywords:Superionic conduction;Successive proton tunneling;First-principles theory;Ferroelastic to paraelastic phase transition;Hydrogen-bonded M3H(XO4)(2)