The magnetoelectric effect denotes the
astonishing ability of a material to exhibit an induced magnetization
in response to an applied electric field.
It is well understood that the effect originates from spin-orbit interactions that tends to align electronic spins in a certain direction with respect to the underlying lattice, and have been proposed as a highly promising route to obtain full control of the spin dynamics in spintronics devices.
In this project, we will implement a framework for calculating the magnetoelectric coupling from first principles (computational quantum mechanics) based on density functional theory (DFT). The student(s) will get their hands dirty while diving into the state-of-the-art DFT code GPAW that is being developed at DTU-physics. When the methodology have being thorougly tested, we will plunge into the exciting multiferroic materials LiNiPO4 and LiFePO4, which have recently been scrutinized experimentally at DTU-physics. The first principles calculations of these materials will thus be applied to explain the microscoic mechanisms responsible for the observed magnetoelectric effect in these materials. Moreover the computational framework will be extremely valuable for future research on this topic in our group.
Quantum mechanics, Electromagnetism