Magnetocrystalline Anisotropy of Heavy Rare-Earth Atoms on Graphene

Explore the magnetocrystalline anisotropy of heavy rare-earth atoms on graphene in this 20-minute conference talk by Johanna Paulina Carbone at the Workshop on "Spin-Orbit Entangled Quantum Magnetism" held at the Erwin Schrödinger International Institute for Mathematics and Physics. Delve into a first-principles Density Functional Theory (DFT) investigation of Dy, Ho, and Tm atoms deposited on graphene monolayers, focusing on their electronic and magnetic properties. Learn about the application of the DFT+U method to calculate magnetic anisotropy, identify easy-axis magnetization, and fit magnetic anisotropy constants. Discover how the strong spin-orbit coupling and crystal field effects contribute to significant magnetic anisotropy energy. Understand the approach for reverse-engineering quantum crystal field parameters and determining magnetic multiplet splitting. Examine the effects of perpendicular mechanical deformation on the system and explore the potential for manipulating magnetic states in graphene systems through magnetoelastic coupling.