反铁磁性
化学
钼酸盐
中子衍射
凝聚态物理
磁化率
基态
密度泛函理论
结晶学
无机化学
晶体结构
计算化学
物理
原子物理学
作者
Meifeng Liu,Yang Zhang,Tao Zou,V. Ovidiu Garlea,Timothy Charlton,Yu Wang,Fei Liu,Yunlong Xie,Xiang Li,Lun Yang,Biwen Li,Xiuzhang Wang,Shuai Dong,Junming Liu
出处
期刊:Inorganic Chemistry
[American Chemical Society]
日期:2020-06-02
卷期号:59 (12): 8127-8133
被引量:9
标识
DOI:10.1021/acs.inorgchem.0c00432
摘要
The magnetic properties of the spin-5/2 double molybdate LiFe(MoO$_4$)$_2$ have been characterized by heat capacity, magnetic susceptibility, and neutron powder diffraction techniques. Unlike the multiferroic system LiFe(MoO$_4$)$_2$ which exhibits two successive magnetic transitions, LiFe(MoO$_4$)$_2$ undergoes only one antiferromagnetic transition at $T_N$ ~ 23.8 K. Its antiferromagnetic magnetic structure with the commensurate propagation vector k = (0, 0.5, 0) has been determined. Density functional theory calculations confirm the antiferromagnetic ground state and provide a numerical estimate of the relevant exchange coupling constants.
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