Unveiling the physics of the spin-orbit coupling at the surface of a model topological insulator: from theory to experiments
arxiv(2024)
摘要
Spin-orbit interaction affects the band structure of topological insulators
beyond the opening of an inverted gap in the bulk bands, and the understanding
of its effects on the surface states is of primary importance to access the
underlying physics of these exotic states. Here, we propose an ab
initio approach benchmarked by pump-probe angle-resolved photoelectron
spectroscopy data to model the effect of spin-orbit coupling on the surface
states of a topological insulator. The critical novelty of our approach lies in
the possibility of accounting for a partial transfer of the spin-orbit coupling
to the surface states, mediated by the hybridization with the surface resonance
states. In topological insulators, the fraction of transferred spin-orbit
coupling influences the strength of the hexagonal warping of the surface
states, which we use as a telltale of the capability of our model to reproduce
the experimental dispersion. The comparison between calculations and
measurements, of both the unoccupied and part of the occupied Dirac cone,
indicates that the fraction of spin-orbit coupling transferred to the surface
states by hybridization with the resonance states is between 70
full atomic value. This offers a valuable insight to improve the modeling of
surface state properties in topological insulators for both scientific purposes
and technological applications.
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