Abstract
Due to the strong coupling between magnetism and ferroelectricity, (ND4)2FeCl5·D2O exhibits several intriguing magnetic and electric phases. In this Letter, we include higher-order onsite anisotropic spin interactions to explain the ferroelectric phase transitions of (ND4)2FeCl5·D2O in a magnetic field and to produce the large weights of high-order harmonic components in the cycloid structure that are observed from neutron diffraction experiments. Moreover, we predict a new ferroelectric phase sandwiched between the FE II and FE III phases in a magnetic field. By emphasizing the importance of the higher-order spin anisotropic interactions, our work provides a framework to understand multiferroic materials with rich phase diagrams.
| Original language | English |
|---|---|
| Article number | L060407 |
| Journal | Physical Review B |
| Volume | 104 |
| Issue number | 6 |
| DOIs | |
| State | Published - Aug 1 2021 |
Funding
Acknowledgments. We acknowledge useful conversations with Xiaojian Bai, Minseong Lee, Jan Musfeldt, and Wei Tian. This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. This research used resources of the Compute and Data Environment for Science (CADES) at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725.