THEORY OF PROTON-INDUCED SUPERIONIC CONDUCTION IN HYDROGEN-BONDED SYSTEMS

被引:0
|
作者
Kamimura, Hiroshi [1 ]
机构
[1] Tokyo Univ Sci, Res Inst Sci & Technol, 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); FERROELASTIC PHASE-TRANSITION; CRYSTALS M3H(XO4)(2); IONIC-CONDUCTIVITY; FIRST PRINCIPLES; MECHANISM; SE; CS; K3H(SO4)(2); RB;
D O I
10.1142/9789814273756_0022
中图分类号
O29 [应用数学];
学科分类号
070104 ;
摘要
This paper consists of three sections. After the Introduction of Section 1, in Section 2 we 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 review on the theory developed by Ito and Kamimura. Then we discuss the characteristic difference between quantum mechanical and classical mechanisms in the case of proton-induced superionic conducction, in paticular, by comparing characteristic time scales in quantum mechanical and classical diffusions in hydrogen-bonded systems. In Section 3 a theory is proposed with regard to the origin of the divergent behavior of ionic conductivity near the phase-transition temperature in the ferroelatic phase of M(3)H(XO(4))(2).
引用
收藏
页码:242 / 264
页数:23
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