Rashba effect: a chemical physicist's approach

Abstract

Understanding the mechanisms underlying the emergence of giant spin splitting (GSS) is fundamental in the pursuit of more robust strategies for designing materials with desired spin splitting.

Rashba splitting in polar-nonpolar sandwich heterostructure: a DFT study

“…Around the Γ, Ti − 3d yz/zx bands originating from different layers coincide, making them indistinguishable layer by layer. The heterostructure's interface effect determines the fundamental mechanism of the intraatomic orbital coupling [66]. The coupling between Ti-d orbitals leads to the mixing of d z 2 and d xz as the band moves away from the Γ point along k x , while the coupling along k y leads to the mixing of d z 2 and d yz [66].…”

“…The heterostructure's interface effect determines the fundamental mechanism of the intraatomic orbital coupling [66]. The coupling between Ti-d orbitals leads to the mixing of d z 2 and d xz as the band moves away from the Γ point along k x , while the coupling along k y leads to the mixing of d z 2 and d yz [66]. In the presence of SOC, the true eigenstates of the system are combinations of the original d−orbitals [67], and hence it is imperative to identify the bands in terms of its total angular momentum quantum number j and the corresponding m j values.…”