Abstract
The magnetic properties of the spin-5/2 double molybdate LiFe(MoO4)2 have been characterized by heat capacity, magnetic susceptibility, and neutron powder diffraction techniques. Unlike the multiferroic system LiFe(WO4)2 which exhibits two successive magnetic transitions, LiFe(MoO4)2 undergoes only one antiferromagnetic transition at TN ∼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.
| Original language | English |
|---|---|
| Pages (from-to) | 8127-8133 |
| Number of pages | 7 |
| Journal | Inorganic Chemistry |
| Volume | 59 |
| Issue number | 12 |
| DOIs | |
| State | Published - Jun 15 2020 |
Funding
This work was supported by the National Key Research Projects of China (Grant 2016YFA0300101) and the National Natural Science Foundation of China (Grants 11704109, 11834002). The research at Oak Ridge National Laboratory's High Flux Isotope Reactor was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences US Department of Energy. Most calculations were supported by National Supercomputer Center in Guangzhou (Tianhe II). This work was supported by the National Key Research Projects of China (Grant 2016YFA0300101) and the National Natural Science Foundation of China (Grants 11704109, 11834002). The research at Oak Ridge National Laboratory’s High Flux Isotope Reactor was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. Most calculations were supported by National Supercomputer Center in Guangzhou (Tianhe II).