Liu Meifeng, Zhang Yang, Zou Tao, Garlea V Ovidiu, Charlton Timothy, Wang Yu, Liu Fei, Xie Yunlong, Li Xiang, Yang Lun, Li Biwen, Wang Xiuzhang, Dong Shuai, Liu Jun-Ming
Institute for Advanced Materials, Hubei Normal University, Huangshi 435002, China.
School of Physics, Southeast University, Nanjing 211189, China.
Inorg Chem. 2020 Jun 15;59(12):8127-8133. doi: 10.1021/acs.inorgchem.0c00432. Epub 2020 Jun 2.
The magnetic properties of the spin-5/2 double molybdate LiFe(MoO) have been characterized by heat capacity, magnetic susceptibility, and neutron powder diffraction techniques. Unlike the multiferroic system LiFe(WO) which exhibits two successive magnetic transitions, LiFe(MoO) undergoes only one antiferromagnetic transition at ∼ 23.8 K. Its antiferromagnetic magnetic structure with the commensurate propagation vector = (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.
通过热容、磁化率和中子粉末衍射技术对自旋为5/2的双钼酸盐LiFe(MoO)的磁性进行了表征。与表现出两次连续磁转变的多铁性体系LiFe(WO)不同，LiFe(MoO)仅在约23.8 K时经历一次反铁磁转变。已经确定了其具有相称传播矢量 = (0, 0.5, 0)的反铁磁结构。密度泛函理论计算证实了反铁磁基态，并提供了相关交换耦合常数的数值估计。
