First Principles Prediction of Topological Phases in Thin Films of Pyrochlore Iridates

Abstract

Topological phases have attracted much interest in recent years. While there are a number of three-dimensional materials exhibiting topological properties, there are relatively few two-dimensional examples aside from the well-known quantum Hall systems. Here we make materials-specific predictions for topological phases using density functional theory combined with Hartree-Fock theory that includes the full orbital structure of the relevant iridum $d$-orbitals and the strong but finite spin-orbit coupling strength. We find Y${}_2$Ir${}_2$O${}_7$ bilayer and trilayer films grown along the [111] direction can support topological metallic phases with a direct gap of up to 0.02 eV, which could potentially bring transition metal oxides to the fore as a new class of topological materials with potential applications in oxide electronics.

arXiv comment10 pages, 8 figures

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• Mixing of $t_{2g}$-$e_g$ orbitals in 4d and 5d transition metal oxides
• Thermoelectric transport in double-Weyl semimetals
• Topological Magnon Bands and Unconventional Superconductivity in Pyrochlore Iridate Thin Films
• Competing orders and topology in the global phase diagram of pyrochlore iridates
• Topological magnons with nodal-line and triple-point degeneracies: Implications for thermal Hall effect in pyrochlore iridates
• Perspective: Strongly correlated and topological states in [111] grown transition metal oxide thin films and heterostructures
• All-in-all-out magnetic domain wall conduction in pyrochlore iridate heterointerface
• Topological Properties and Functionalities in Oxide Thin Films and Interfaces
• Non-collinear magnetic structure and multipolar order in Eu${}_2$Ir${}_2$O${}_7$
• Spin Ice Thin Film: Surface Ordering, Partial Magnetic Wetting and Emergent Square Ice
• Correlation effects in pyrochlore iridate thin films grown along the $[111]$ direction
• Transition-Metal Oxide (111) bilayers
• Heavy-mass magnetic modes in pyrochlore iridates due to dominant Dzyaloshinskii-Moriya interaction
• Theory of Multifarious Quantum Phases and Large Anomalous Hall effect in Pyrochlore Iridate Thin Films
• Topological Phases in Oxide Heterostructures with Light and Heavy Transition Metal Ions
• Magnetic and nematic orders of the 2DEG at oxide (111) surfaces and interfaces
• First-principles studies of spin-orbital physics in pyrochlore oxides
• Intrinsic Magnon Nernst Effects in Pyrochlore Iridate Thin Films
• Floquet states in (LaNiO${}_3$)${}_2$/(LaAlO${}_3$)${}_N$ heterostructures grown along the (111) direction