雅恩-泰勒效应
充电顺序
锰铁矿
凝聚态物理
歧化
电荷(物理)
铁磁性
库仑
之字形的
电子
八面体
相(物质)
材料科学
化学
物理
结晶学
晶体结构
离子
量子力学
催化作用
生物化学
数学
几何学
作者
Shuai Dong,Shaotao Dai,X. Y. Yao,Kefeng Wang,Chong Zhu,Jun‐Min Liu
标识
DOI:10.1103/physrevb.73.104404
摘要
The charge order of CE phase in half-doped manganites is studied, based on an argument that the charge-ordering is caused by the Jahn-Teller distortions of MnO6 octahedra rather than Coulomb repulsion between electrons. The uantitative calculation on the ferromagnetic zigzag chain as the basic structure unit of CE phase within the framework of two-orbital double exchange model including Jahn-Teller effect is performed, and it is shown that the charge-disproportionation of Mn cations in the charge-ordered CE phase is less than 13%. In addition, we predict the negative charge-disproportionation once the Jahn-Teller effect is weak enough.
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