EMAGICS · Atomistic spin dynamics and spectroscopic investigation of spin-induced magnetoelectric multiferroic materials

Magnetoelectric (ME) multiferroics (MFs), materials that can combine ferromagnetism and ferroelectricity, are strong candidates for a wide range of novel hybrid technological applications, such as sensing, energy harvesting, data storage, magnonics, and spintronics, to name a few. Most importantly, the ability to manipulate the magnetization by electric fields leads to simple, cost-effective and energetically sustainable technological strategies. Despite the great efforts of the MF scientific community, the origin of the ME coupling in a series of MF materials still remains ambiguous. Experimental findings may frequently be inconclusive and misinterpreted; therefore a solid theoretical approach is essential for developing further insights in the fundamental physics hidden behind magnetoelectricity.Ni3TeO6 champions both the static and dynamical ME effects among the single-phase MFs. In pursuit of new spin-induced MFs, resembling the celebrated Ni3TeO6, we propose the investigation of a series of compounds of the form M3TeO6 (M=Ni, Mn, Co), with a combination of mixed-valence transition metal anions on the M-site, by employing a combination of first principles calculations of spin dynamics together with experimental spectroscopic investigation. The researcher has experience in spectroscopic techniques for ME MFs, background in first principles calculations, and aims at training in the field of first principles calculations for spin dynamics. The supervisor Prof. Sanvito is an expert in ab initio predictions with atomistic spin dynamics.EMAGICS’ target is to unveil the underlying mechanisms that lead to the enhancement of the ME MF properties, as well as possibly increase the critical temperatures in favour of the applications. Thereafter, EMAGICS will be able to propose the synthesis of new compounds of the family M3TeO6, with a combination of mixed-valence transition metal anions on the M-site, and experimentally explore possible MF performance.