Dorye L. Esteras (ICMol)
The exfoliation of graphene down to the monolayer limit opened a new field of science based on infinitely thin materials. Encouraged by these findings, several efforts have been made in order to bring magnetism into the 2-dimensional (2D) limit. Despite the predictions of Mermin-Wagner theorem, these systems have magnetic order under critical temperatures that are accessible in laboratory and provide a new class of materials that is continuously expanding the frontiers of 2D. Their fascinating properties are capturing the interest of many fields of science, that find in this scenario a plethora of unique phenomena and the possibility to implement promising applications in the limits of miniaturization. In this seminary, we will overview the history of 2D magnetic materials and introduce DFT (Density functional theory) and Wannier functions as key ingredients to explore and rationalize their properties. Following this ab initio approach, we will investigate some of the most important families of 2D magnets to unveil the underlying microscopic mechanisms of their magnetic interactions and subsequently, enhance the magnetic properties of 2D magnetic materials from the first principles.
