Abstract

Silicene consists of a monolayer of silicon atoms in a buckled honeycomb structure. It was recently discovered that the symmetry of such a system allows for interesting Rashba spin–orbit effects. A perpendicular electric field is able to couple to the sublattice pseudospin, making it possible to electrically tune and close the band gap. Therefore, external electric fields may generate a topological phase transition from a topological insulator to a normal insulator (or semimetal) and vice versa. The contribution of the present paper to the study of silicene is twofold. Firstly, we perform a group theoretical analysis to systematically construct the Hamiltonian in the vicinity of the K points of the Brillouin zone and find an additional, electric field induced spin–orbit term, that is allowed by symmetry. Subsequently, we identify a tight-binding model that corresponds to the group theoretically derived Hamiltonian near the K points. Secondly, we start from this tight-binding model to analyze the topological phase diagram of silicene by an explicit calculation of the topological invariant of the band structure. To this end, we calculate the topological invariant of the honeycomb lattice in a manifestly gauge invariant way which allows us to include Sz symmetry breaking terms—like Rashba spin–orbit interaction—into the topological analysis. Interestingly, we find that the interplay of a Rashba and an intrinsic spin–orbit term can generate a non-trivial quantum spin Hall phase in silicene. This is in sharp contrast to the more extensively studied honeycomb system graphene where Rashba spin–orbit interaction is known to compete with the quantum spin Hall effect in a detrimental way.

Highlights

  • One of the main subjects of current interest in condensed matter physics is the search for materials that host topological insulator (TI) phases [1, 2, 3]

  • The reader who is more interested in quantum spin Hall physics can directly go to Sec. 3, where we study the topological properties of the band structure of silicene by explicitly calculating the Z2 topological invariant in a manifestly gauge invariant way

  • With the help of the invariant expansion model, the π-band Hamiltonian was constructed by symmetry considerations only, including spin-orbit coupling and external electric fields perpendicular to the atomic plane

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Summary

Introduction

One of the main subjects of current interest in condensed matter physics is the search for materials that host topological insulator (TI) phases [1, 2, 3]. Due to the broken sublattice symmetry, the mobile electrons in silicene are able to couple differently to an external electric field than the ones in graphene This difference is the origin of new (Rashba) ‡ spin-orbit coupling effects that allow for external tuning and closing of the band gap in silicene [13]. This analysis allows us to mathematically construct the lowenergy Hamiltonian (close to the K points of the Brillouin zone) by means of the invariant expansion method with a particular focus on terms involving a perpendicular electric field. The reader who is more interested in quantum spin Hall physics can directly go to Sec. 3, where we study the topological properties of the band structure of silicene by explicitly calculating the Z2 topological invariant in a manifestly gauge invariant way. Some technical details of the invariant expansion and the tight-binding model are presented in the appendix

Identification of the lattice symmetry
Invariant expansion
Corresponding tight-binding model
Tight-binding model including π and σ-bands of silicene
Numerical estimates
Topological analysis
Manifestly gauge invariant calculation of the topological Z2-invariant
From the honeycomb lattice of silicene to a rectangular super-cell
Results for the phase diagram of silicene
Conclusion
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