Computational Study of Magnetoelectric Effects in Quantum Molecular Magnets
| Author | : Maher Yazback |
| Publisher | : |
| Total Pages | : 0 |
| Release | : 2023 |
| Genre | : |
| ISBN | : |
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The ability to control the state of magnetic systems through electronic means is a promising challenge to those in the field of electronics and nanotechnology. The magnetoelectric effect, first predicted in 1894, is a coupling between the magnetization of a material and an electric field or the polarization of a material and a magnetic field. A lot of progress has been made since its discovery but a limited microscopic understanding of the underlying mechanisms involved, and a general weakness of the effect, makes the search for and study of these systems difficult. Recent studies have focused on considering such behaviour in low-dimensional materials or molecules. The small size and tunability of these systems makes them a worthwhile testing ground to push the limits of scale and functionality for technical applications. First-principle calculations using density functional theory (DFT) provides a computationally efficient method to characterize the ground state properties of potential magnetoelectric materials and allows the building of models that could potentially anticipate the presence and strength of the effect. In this work, we use these methods to study low-dimensional magnetic systems, one a quasi-1D molecular crystal and later, a set of single-molecule magnets.
