Quantum materials offer the possibility of information processing with high density, low power consumption, unmatched sensitivity, security, and speed. Density functional simulations are very helpful for the rational design of these materials with emergent properties. In this talk, I will discuss how to effectively imprint the exchange and spin orbit coupling (SOC) of adatoms and newly discovered van der Waals (vdW) two-dimensional (2D) magnetic materials into graphene and topological materials to realize the quantum spin Hall effect or the quantum anomalous Hall effect at a reasonably high temperature. I will also discuss how to use the giant electric field at the surface of ferroelectric substrate to manipulate the spin Hall effect, magnetic anisotropy, Rashba SOC and Dzyaloshinskii-Moriya interaction. Most of these studies were done with experimental collaborators, showing the usefulness of synergistic experimental/theoretical collaborations for the exploration of new quantum materials and properties.
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Physics, Room 203, Purdue University, West Lafayette, IN