Abstract

We review our theoretical advances in tunable topological quantum states in three- and two-dimensional materials with strong spin-orbital couplings. In three-dimensional systems, we propose a new tunable topological insulator, bismuth-based skutterudites in which topological insulating states can be induced by external strains. The orbitals involved in the topological band-inversion process are the d- and p-orbitals, unlike typical topological insulators such as Bi2Se3 and BiTeI, where only the p-orbitals are involved in the band-inversion process. Owing to the presence of large d-electronic states, the electronic interaction in our proposed topological insulator is much stronger than that in other conventional topological insulators. In two-dimensional systems, we investigated 3d-transition-metal-doped silicene. Using both an analytical model and first-principles Wannier interpolation, we demonstrate that silicene decorated with certain 3d transition metals such as vanadium can sustain a stable quantum anomalous Hall effect. We also predict that the quantum valley Hall effect and electrically tunable topological states could be realized in certain transition-metal-doped silicenes where the energy band inversion occurs. These findings provide realistic materials in which topological states could be arbitrarily controlled.

Highlights

  • PACS numbers 81.05.Zx, 73.43.Nq, 73.20.At effect emerges due to magnetic-field-induced Landau quantization

  • We predict a new tunable topological insulator in bismuth-based skutterudites in which the bands involved in the topological band-inversion process are d- and porbitals

  • A number of recently reported unusual quantum phenomena [62,63,64,65,66] together with its natural compatibility with the current silicon-based microelectronics industry make silicene a promising candidate for future nano-electronics applications. It is highly valuable if magnetism or a sizable band gap or both can be established in nonmagnetic silicene for realizing quantum anomalous Hall effect (QAHE) with dissipation-less edge states protected by topology

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Summary

Tunable topological insulator in bismuthbased skutterudites

Pressure and strain have been demonstrated as effective methods for tuning the band structures and even topological properties of materials. We predict a new tunable topological insulator in bismuth-based skutterudites in which the bands involved in the topological band-inversion process are d- and porbitals. This band involvement is distinct from that in conventional topological insulators; for instance, in Bi2Se3 and BiTeI, the bands involved in the topological band-inversion process are only p-orbitals. Due to the presence of large d-electronic states, the electronic interaction in this topological insulator is much stronger than that in other conventional topological insulators The stability of this new material is verified by binding energy calculation, phonon mode analysis, and finitetemperature molecular dynamics simulations. This new material can provide nearly zero-resistivity signal current for devices and is expected to be applied in spintronics devices

Crystal structure and optimized lattice parameter
Strain-tunable topological phase and d-p bandinversion topological insulator
Partial-density of states and the d-p orbital dominating property
Experimental protocols
Adsorption and magnetism analysis
Topological states from Chern number analysis
Findings
Conclusions
Full Text
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