Theory of superionic conduction in hydrogen-bonded systems

被引:6
|
作者
Kamimura, Hiroshi [1 ]
机构
[1] Tokyo Univ Sci, Sci & Technol Res Inst, Shinjuku Ku, Tokyo 1628601, Japan
关键词
Superionic conduction; Successive proton tunneling; First-principles theory; Ferroelastic to paraelastic phase transition; Hydrogen-bonded M(3)H(XO(4))(2); CRYSTALS M3H(XO4)(2); MECHANISM; SE; CS;
D O I
10.1016/j.ssi.2008.06.026
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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 M(3)H(XO(4))(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 Rb(3)H(SeO(4))(2). (C) 2008 Elsevier B.V. All rights reserved.
引用
收藏
页码:471 / 474
页数:4
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