Charge-ordering induces magnetic axes rotation in organic materials (TMTTF)2X (with X = SbF6, AsF6, and PF6)

被引：3
|
作者：
Dutoit, C. -E. [1 ]
Bertaina, S. [1 ]
Orio, M. [2 ]
Dressel, M. [3 ]
Stepanov, A. [1 ]
机构：
[1] Aix Marseille Univ, CNRS, UMR IM2NP 7334, F-13397 Marseille 20, France
[2] Aix Marseille Univ, CNRS, UMR ISM2 7313, Cent Marseille, F-13397 Marseille 20, France
[3] Univ Stuttgart, Inst Phys, D-70550 Stuttgart, Germany
来源：
LOW TEMPERATURE PHYSICS | 2015年 / 41卷 / 11期
关键词：
KOHN-SHAM THEORY; HARTREE-FOCK; CONDUCTORS; TRANSITION; DENSITY;
D O I：
10.1063/1.4934549
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
We have performed a comprehensive EPR investigation of the quasi-one-dimensional organic systems (TMTTF)(2)X with centrosymmetrical anions X (X = SbF6, AsF6, and PF6). We observe a strong rotation of g-factor principal axes when the temperature decreases below charge-ordering temperature T-CO. The possible origin of this rotation is analyzed on the basis of quantum chemical calculations performed using density functional theory method. A good agreement between theory and experiment is found. (C) 2015 AIP Publishing LLC.
引用
收藏
页码：942 / 944
页数：3
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