English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

\textit{Ab initio} calculations have been performed on hexagonal layers ofM$_2$O$_3$ (M being several transition metals of the $5d$ series) sandwiched bya band insulator such as Al$_2$O$_3$ that provides the honeycomb lattice wherethe $5d$ electrons reside. This corundum-structure-based superlattice is themost obvious way to design a honeycomb lattice with transition metal cationsavoiding the use of largely polar surfaces. We obtain that this system supportsthe presence of Dirac cones at the Fermi level that open up with theintroduction of spin-orbit coupling at various fillings of the $5d$ band. TheDFT calculations performed in this work show that the $5d^5$ situation isalways a trivial insulator, whereas the $5d^8$ filling presents topologicalinsulating configurations which evolve into a trivial state with increasingtensile strain or on-site Coulomb potential U. However, LDA+U calculations showa stable antiferromagnetic solution for the $5d^8$ case at every U value, whichwould break time reversal symmetry and could affect the topological propertiesof the system. We also discuss the similarities with the buckled honeycomblattice obtained using perovskite (111) bilayers previously studied inliterature, in particular for the $5d^5$ and $5d^8$ configurations. This workprovides some clues on the stability of topological phases using metal oxidesin general.

Ab initio study of nontrivial topological phases in corundum structured $($M$_2$O$_3)/($Al$_2$O$_3)_5$ multilayers