Exploring magnetic properties and electron correlation effects at hybrid interfaces

Hybrid interfaces, where molecules are coupled with ferromagnetic and antiferromagnetic metals, as well as 2D magnets, can exhibit novel magnetic properties that go beyond those of conventional materials. In this talk, I will first present results from Density Functional Theory (DFT) calculations, demonstrating that the magnetization of a Co surface can be manipulated in various directions, including a switch from in-plane to out-of-plane, by adsorbing different molecules [1]. This phenomenon can lead to a novel magnetic phase, recently observed experimentally [2], characterized by giant magnetic hardening and controllable by light. Next, I will extend the investigation to include electron correlation effects. By combining DFT with our implementation of Dynamical Mean Field Theory [3], we predict that the adsorption of adatoms and small molecules on Fe surfaces can induce interfacial charge transfer, thereby driving the surface into intermediate and novel correlated regimes not observed in conventional materials [4]. Finally, our theoretical predictions will be compared with results from photoemission and scanning tunnelling microscopy experiments, revealing how standard models for molecular adsorption on metals need to be revised to account for complex behaviours in these systems.

[1] A. Halder et al. Phys. Rev. Mater. 7, 064409 (2023)

[2] M. Benini et al., preprint: https://doi.org/10.21203/rs.3.rs-4540787/v1

[3] A. Droghetti et al., Phys. Rev. B 105, 115129 (2022)

[4] D.M. Janas, et al., Adv. Mater. 35, 2205698 (2023)