2D Quantum Spin Hall Research Articles

On the Quantum Spin Hall Gap of Monolayer 1T'-WTe2.

Positive quantum spin Hall gap in mono-layer 1T'-WTe2 is consistently supported by density-functional theory calculations, ultrafast pump-probe, and electrical transport measurements. It is argued that monolayer 1T'-WTe2 , which was predicted to be a semimetallic quantum spin Hall material, is likely a truly 2D quantum spin Hall insulator with a positive quantum spin Hall gap.

New quantum spin Hall insulator in two-dimensional MoS2 with periodically distributed pores.

MoS2, one of the transition metal dichalcogenides (TMDs), has gained a lot of attention due to its excellent semiconductor characteristics and potential applications. Here, based on density functional theory methods, we predict a novel 2D QSH insulator in the porous allotrope of monolayer MoS2 (g-MoS2), consisting of MoS2 squares and hexagons. g-MoS2 has a nontrivial gap as large as 109 meV, comparable with previously reported 1T'-MoS2 (80 meV) and so-MoS2 (25 meV). We demonstrate that the origin of the 2D QSH effect in g-MoS2 originates from the pure d-d band inversion, different from the conventional band inversion between s-p, p-p or d-p orbitals. The new polymorph greatly enriches the TMD family and its stabilities are confirmed using phonon spectrum analysis. In particular, its porous structure endows it with the potential for efficient gas separation and energy storage applications.

Quantum spin Hall state in cyanided dumbbell stanene

Searching for two-dimensional (2D) quantum spin Hall (QSH) insulators with a large band gap, in which the Quantum spin Hall effect (QSHE) can be observed at high temperature, is an important goal for condensed matter physics researchers.

New Family of Quantum Spin Hall Insulators in Two-dimensional Transition-Metal Halide with Large Nontrivial Band Gaps.

Topological insulators (TIs) are promising for achieving dissipationless transport devices due to the robust gapless states inside the insulating bulk gap. However, currently realized two-dimensional (2D) TIs, quantum spin Hall (QSH) insulators, suffer from ultrahigh vacuum and extremely low temperature. Thus, seeking for desirable QSH insulators with high feasibility of experimental preparation and large nontrivial gap is of great importance for wide applications in spintronics. On the basis of the first-principles calculations, we predict a novel family of 2D QSH insulators in transition-metal halide MX (M = Zr, Hf; X = Cl, Br, and I) monolayers, especially, which is the first case based on transition-metal halide-based QSH insulators. MX family has the large nontrivial gaps of 0.12-0.4 eV, comparable with bismuth (111) bilayer (0.2 eV), stanene (0.3 eV), and larger than ZrTe5 (0.1 eV) monolayers and graphene-based sandwiched heterstructures (30-70 meV). Their corresponding 3D bulk materials are weak topological insulators from stacking QSH layers, and some of bulk compounds have already been synthesized in experiment. The mechanism for 2D QSH effect in this system originates from a novel d-d band inversion, significantly different from conventional band inversion between s-p, p-p, or d-p orbitals. The realization of pure layered MX monolayers may be prepared by exfoliation from their 3D bulk phases, thus holding great promise for nanoscale device applications and stimulating further efforts on transition metal-based QSH materials.

Two-dimensional topological insulators with tunable band gaps: Single-layer HgTe and HgSe.

Two-dimensional (2D) topological insulators (TIs) with large band gaps are of great importance for the future applications of quantum spin Hall (QSH) effect. Employing ab initio electronic calculations we propose a novel type of 2D topological insulators, the monolayer (ML) low-buckled (LB) mercury telluride (HgTe) and mercury selenide (HgSe), with tunable band gap. We demonstrate that LB HgTe (HgSe) monolayers undergo a trivial insulator to topological insulator transition under in-plane tensile strain of 2.6% (3.1%) due to the combination of the strain and the spin orbital coupling (SOC) effects. Furthermore, the band gaps can be tuned up to large values (0.2 eV for HgTe and 0.05 eV for HgSe) by tensile strain, which far exceed those of current experimentally realized 2D quantum spin Hall insulators. Our results suggest a new type of material suitable for practical applications of 2D TI at room-temperature.

Tunnel junction of helical edge states: Determining and controlling spin-preserving and spin-flipping processes through transconductance

When a constriction is realized in a 2D quantum spin Hall system, electron tunneling between helical edge states occurs via two types of channels allowed by time-reversal symmetry, namely spin-preserving ({p}) and spin-flipping ({f}) tunneling processes. Determining and controlling the effects of these two channels is crucial to the application of helical edge states in spintronics. We show that, despite the Hamiltonian terms describing these two processes do not commute, the scattering matrix entries of the related 4-terminal setup always factorize into products of p-terms and f-terms contributions. Such factorization provides an operative way to determine the transmission coefficient $T_p$ and $T_f$ related to each of the two processes, via transconductance measurements. Furthermore, these transmission coefficients are also found to be controlled independently by a suitable combination of two gate voltages applied across the junction. This result holds for an arbitrary profile of the tunneling amplitudes, including disorder in the tunnel region, enabling us to discuss the effect of the finite length of the tunnel junction, and the space modulation of both magnitude and phase of the tunneling amplitudes.

Single-Dirac-Cone Topological Surface States in theTlBiSe2Class of Topological Semiconductors

We investigate several strong spin-orbit coupling ternary chalcogenides related to the (Pb,Sn)Te series of compounds. Our first-principles calculations predict the low-temperature rhombohedral ordered phase in TlBiTe₂, TlBiSe₂, and TlSbX₂ (X=Te, Se, S) to be topologically nontrivial. We identify the specific surface termination that realizes the single Dirac cone through first-principles surface state computations. This termination minimizes effects of dangling bonds, making it favorable for photoemission experiments. In addition, our analysis predicts that thin films of these materials could harbor novel 2D quantum spin Hall states, and support odd-parity topological superconductivity.

Quantum Spin Hall Phases

We review our recent theoretical works on the the quantum spin Hall effect. First we compare edge states in various 2D systems, and see whether they are robust or fragile against perturbations. Through the comparisons we see the robust nature of edge states in 2D quantum spin Hall phases. We see how it is protected by the Z2 topological number, and reveal the nature of the Z2 topological number by studying the phase transition between the quantum spin Hall and insulator phases. We also review our theoretical proposal of the ultrathin bismuth film as a candidate to the 2D quantum spin Hall system.

Topological insulators with inversion symmetry

Topological insulators are materials with a bulk excitation gap generated by the spin orbit interaction, and which are different from conventional insulators. This distinction is characterized by Z_2 topological invariants, which characterize the groundstate. In two dimensions there is a single Z_2 invariant which distinguishes the ordinary insulator from the quantum spin Hall phase. In three dimensions there are four Z_2 invariants, which distinguish the ordinary insulator from "weak" and "strong" topological insulators. These phases are characterized by the presence of gapless surface (or edge) states. In the 2D quantum spin Hall phase and the 3D strong topological insulator these states are robust and are insensitive to weak disorder and interactions. In this paper we show that the presence of inversion symmetry greatly simplifies the problem of evaluating the Z_2 invariants. We show that the invariants can be determined from the knowledge of the parity of the occupied Bloch wavefunctions at the time reversal invariant points in the Brillouin zone. Using this approach, we predict a number of specific materials are strong topological insulators, including the semiconducting alloy Bi_{1-x} Sb_x as well as \alpha-Sn and HgTe under uniaxial strain. This paper also includes an expanded discussion of our formulation of the topological insulators in both two and three dimensions, as well as implications for experiments.

Topological Insulators in Three Dimensions

We study three-dimensional generalizations of the quantum spin Hall (QSH) effect. Unlike two dimensions, where a single Z2 topological invariant governs the effect, in three dimensions there are 4 invariants distinguishing 16 phases with two general classes: weak (WTI) and strong (STI) topological insulators. The WTI are like layered 2D QSH states, but are destroyed by disorder. The STI are robust and lead to novel "topological metal" surface states. We introduce a tight binding model which realizes the WTI and STI phases, and we discuss its relevance to real materials, including bismuth.