Charge ordering and lattice modulation in MMX chains

被引:26
作者
Kuwabara, M [1 ]
Yonemitsu, K
机构
[1] Inst Mol Sci, Dept Theoret Studies, Okazaki, Aichi 4448585, Japan
[2] Grad Univ Adv Studies, Dept Funct Mol Sci, Okazaki, Aichi 4448585, Japan
关键词
inorganic compounds; charge-density wave; phase transitions;
D O I
10.1016/S0022-3697(00)00183-9
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Ground state phase diagrams for the MMX chains are studied in a one-dimensional two-band model by exactly diagonalizing 18-site clusters. Experimentally observed phases are reproduced by changing relative strengths of an electron-lattice coupling the interdimer transfer integral, and an elastic constant, whose variation is roughly estimated from the interatomic spacing, the species of the halogen ion, and the presence/absence of counter ions. (C) 2000 Elsevier Science Ltd. All rights reserved.
引用
收藏
页码:435 / 438
页数:4
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