Topological Insulators I: Two Dimensions

Topological insulators are a new class of materials characterized by fully spin-polarized surface states, a linear dispersion, imperviousness to external non-magnetic perturbations, and a helical character arising out of the perpendicular spin-momentum locking. This article answers in a pedagogical way the distinction between a topological and normal insulator, the role of topology in band theory of solids, and the origin of these surface states. Numerical techniques including diagonalization of the TI Hamiltonians are described to quantitatively evaluate the behaviour of topological insulator states. The Hamiltonians based on continuum and tight binding approaches are contrasted. The application of TIs as components of a fast switching environment or channel material for transistors is examined through I-V curves. The potential pitfall of such devices is presented along with techniques that could potentially circumvent the problem. Additionally, it is demonstrated that a strong internal electric field can also induce topological insulator behaviour with wurtzite nitride quantum wells as representative materials.

We propose new topological insulators in cerium filled skutterudite (FS) compounds based on ab initio calculations. We find that two compounds CeOs4As12 and CeOs4Sb12 are zero gap materials with band inversion between Os-d and Ce-f orbitals, which are thus parent compounds of two and three-dimensional topological insulators just like bulk HgTe. At low temperature, both compounds become topological Kondo insulators, which are Kondo insulators in the bulk, but have robust Dirac surface states on the boundary. This new family of topological insulators has two advantages compared to previous ones. First, they can have good proximity effect with other superconducting FS compounds to realize Majarona fermions. Second, the antiferromagnetism of CeOs4Sb12 at low temperature provides a way to realize the massive Dirac fermion with novel topological phenomena.

Average symmetry protects the topological surface states of topological (crystalline) insulators with time-reversal symmetry from disorder-induced localization. However, the nature of such average symmetry for magnetic topological insulators and, in particular, its connection to surface transport await inspection. Here, we investigate the impact of imperfect magnetic order on an antiferromagnetic topological insulator, which is a solid with a bulk axion field $\ensuremath{\theta}=\ensuremath{\pi}$. We find that the disordered topological surfaces of an antiferromagnetic topological insulator can be generally gapped and localized. The behavior of topological surfaces is now controlled by a mesoscopic average time-reversal symmetry that requires a magnetically imperfect system to be divisible into finite and magnetically neutral slabs. In the presence of this mesoscopic average time-reversal symmetry, the topological surface states will be gapless in the thermodynamic limit and tend to delocalize at a single energy similar to the delocalization transition in the chiral universality class. The notion of average-symmetry-induced delocalization is thus extended to account for magnetic topological insulators, and the spectroscopic and transport signatures clarified herein are relevant to future experimental investigations.

Topological Mott insulator by block spin phenomenology

Topological insulators represent unusual topological quantum states, typically with gapped bulk band structure but gapless surface Dirac fermions protected by time-reversal symmetry. Recently, a distinct kind of topological insulator resulting from nonsymmorphic crystalline symmetry was proposed in the KHgX ($X=\mathrm{As}$, Sb, Bi) compounds. Unlike regular topological crystalline insulators, the nonsymmorphic glide-reflection symmetry in KHgX guarantees the appearance of an exotic surface fermion with hourglass shape dispersion (where two pairs of branches switch their partners) residing on its (010) side surface, contrasting to the usual two-dimensional Dirac fermion form. Here, by using high-resolution angle-resolved photoemission spectroscopy, we systematically investigate the electronic structures of KHgSb on both (001) and (010) surfaces and reveal the unique in-gap surface states on the (010) surface with delicate dispersion consistent with the ``hourglass Fermion'' recently proposed. Our experiment strongly supports that KHgSb is a nonsymmorphic topological crystalline insulator with hourglass fermions, which serves as an important step to the discovery of unique topological quantum materials and exotic fermions protected by nonsymmorphic crystalline symmetry.

Dual topological materials are unique topological phases that host coexisting surface states of different topological nature on the same or on different material facets. Here, we show that Bi2TeI is a dual topological insulator. It exhibits band inversions at two time reversal symmetry points of the bulk band, which classify it as a weak topological insulator with metallic states on its 'side' surfaces. The mirror symmetry of the crystal structure concurrently classifies it as a topological crystalline insulator. We investigated Bi2TeI spectroscopically to show the existence of both two-dimensional Dirac surface states, which are susceptible to mirror symmetry breaking, and one-dimensional channels that reside along the step edges. Their mutual coexistence on the step edge, where both facets join, is facilitated by momentum and energy segregation. Our observation of a dual topological insulator should stimulate investigations of other dual topology classes with distinct surface manifestations coexisting at their boundaries.

The realization of the quantum anomalous Hall (QAH) effect without magnetic doping attracts intensive interest since magnetically doped topological insulators usually possess inhomogeneity of ferromagnetic order. Here, we propose a different strategy to realize intriguing QAH states arising from the interplay of light and non-magnetic disorder in two-dimensional topologically trivial systems. By combining the Born approximation and Floquet theory, we show that a time-reversal invariant disorder-induced topological insulator, known as the topological Anderson insulator (TAI), would evolve into a time-reversal broken TAI and then into a QAH insulator by shining circularly polarized light. We utilize spin and charge Hall conductivities, which can be measured in experiments directly, to distinguish these three different topological phases. This work not only offers an exciting opportunity to realize the high-temperature QAH effect without magnetic orders, but also is important for applications of topological states to spintronics.

The properties that distinguish topological crystalline insulator (TCI) and topological insulator (TI) rely on crystalline symmetry and time-reversal symmetry, respectively, which encodes different bulk and surface/edge properties. Here, we predict theoretically that electron-doped TlM (M = S and Se) (110) monolayers realize a family of two-dimensional (2D) TCIs characterized by mirror Chern number CM = -2. Remarkably, under uniaxial strain (≈ 1%), a topological phase transition between 2D TCI and 2D TI is revealed with the calculated spin Chern number CS = -1 for the 2D TI. Using spin-resolved edge states analysis, we show different edge-state behaviors, especially at the time reversal invariant points. Finally, a TlBiSe2/NaCl quantum well is proposed to realize an undoped 2D TCI with inverted gap as large as 0.37 eV, indicating the high possibility for room-temperature observation.

[EN]In three-dimensional topological Insulators, the topological protected helical surface conducting states exist along with the bulk insulating states. In a class of topological insulators, namely topological crystalline insulators, the protection role of surface states is taken by crystalline symmetry instead of time-reversal symmetry. These exotic characteristics bring about potential applications in logic devices, thermoelectricity or quantum computers. However, due to some critical challenges (like their compatibility with the existing devices, their fabrication processes as well as their compatibility with topological or quantum behavior under external stimuli, working temperature range, cost efficiency, practical structure and ease of use), topological materials are still lagging in device applications. In this regard, this thesis aims at investigating the fundamental properties of a topological crystalline insulator, 𝑃𝑏0.77𝑆𝑛0.23𝑆𝑒, based on Raman characterization at different temperature ranges and low magnetic fields as well as magneto-transport of its Hall bar devices at low temperatures, albeit with meeting challenges in fabrication and characterization. The Raman response of this material at relaxed conditions confirms the presence of topological surface states. Moreover, temperature-dependent Raman characterizations indicate that both surface states and their bulk counterparts contribute to the Raman response considering the interplay of electrons and phonons. Furthermore, our findings based on magnetic-field dependent Raman characterization demonstrate that the surface states are topologically protected by symmetry. These Raman results are also corroborated with magneto-transport characterizations, revealing the prominent role of an inherent attribute of this material based on strong spin-orbit coupling. Our results pave the way for electron studies in field-effect transistors based on topological phase transitions

A new class of three-dimensional topological insulator, ternary rare earth chalcogenides, is theoretically investigated with ab initio calculations. Based on both bulk band structure analysis and the direct calculation of topological surface states, we demonstrate that LaBiTe3 is a topological insulator. La can be substituted by other rare earth elements, which provide candidates for novel topological states such as quantum anomalous Hall insulator, axionic insulator and topological Kondo insulator. Moreover, YBiTe3 and YSbTe3 are found to be normal insulators. They can be used as protecting barrier materials for both LaBiTe3 and Bi2Te3 families of topological insulators for their well matched lattice constants and chemical composition.

In this review, we discuss recent progress in the explorations of topological materials beyond topological insulators; specifically, we focus on topological crystalline insulators and bulk topological superconductors. The basic concepts, model Hamiltonians, and novel electronic properties of these new topological materials are explained. The key role of the symmetries that underlie their topological properties is elucidated. Key issues in their materials realizations are also discussed.

The measurement of topological insulators is usually achieved by measuring spectra, which is inadequate in higher-order topological insulators because the separation of bandgaps may be blurred, such as body boundaries and corner state hybridization, and the above measurement requires that the energy of the topological mode must be located in the bulk bandgap to be measured. Recent experiments have shown a strong relationship between the fractional mode charge and the location of the Wannier center in the crystal body. The fractional quantization of the corner charge originates from the filling anomaly, and the fractional mode charge can be calculated from experimental measurements of the local density of states to describe the topological state of the system, which has been demonstrated in optical systems. We have achieved a similar effect in acoustics by utilizing a coupled acoustic-cavity system featuring C3, C4, and C6 symmetries for simulation. Furthermore, we extended our study to 3D third-order topological crystalline insulators to validate the fractional-corner charge approach. The simulation and theoretical results demonstrate that the fractional mode charge can clearly identify the high-order topology, even without gap states.

Based on first-principles calculations, we study electronic structure of interfaces between a topological insulator (TI) SnBiTe and a topological crystalline insulator (TCI) SnTe. We consider two interface models characterized by the different atomic structure on the contact of the SnTe(111) and SnBiTe(0001) slabs: the model when two materials are connected without intermixing (abrupt type of interface) and the interface model predicted to be realized at epitaxial immersion growth on topological insulator substrates (smooth interface). We find that a strong potential gradient at the abrupt interface leads to the redistribution of the topological states deeper from the interface plane which prevents the annihilation of the Dirac states, predicted earlier. In contrast, a smooth interface is characterized by minor charge transfer, which promotes the strong interplay between TI and TCI Dirac cones leading to their complete annihilation.The topologically protected Dirac state of SnTe(111) survives irrespective of the interface structure.

We predict planar Sb/Bi honeycomb to harbor a two-dimensional (2D) topological crystalline insulator (TCI) phase based on first-principles computations. Although buckled Sb and Bi honeycombs support 2D topological insulator (TI) phases, their structure becomes planar under tensile strain. The planar Sb/Bi honeycomb structure restores the mirror symmetry, and is shown to exhibit non-zero mirror Chern numbers, indicating that the system can host topologically protected edge states. Our computations show that the electronic spectrum of a planar Sb/Bi nanoribbon with armchair or zigzag edges contains two Dirac cones within the band gap and an even number of edge bands crossing the Fermi level. Lattice constant of the planar Sb honeycomb is found to nearly match that of hexagonal-BN. The Sb nanoribbon on hexagonal-BN exhibits gapped edge states, which we show to be tunable by an out-of-the-plane electric field, providing controllable gating of edge state important for device applications.

Introducing magnetic order into a topological insulator (TI) system has attracted much attention with an expectation of realizing exotic phenomena such as the quantum anomalous Hall effect (QAHE) and axion insulator states. The magnetic proximity effect (MPE) is one of the promising schemes to induce the magnetic order on the surface of a TI without introducing disorder accompanied by doping magnetic impurities in the TI. In this study, we investigate the MPE at the interface of a heterostructure consisting of the topological crystalline insulator (TCI) SnTe and Fe by employing polarized neutron reflectometry. The ferromagnetic order penetrates ∼2.2 nm deep into the SnTe layer from the interface with Fe, which persists up to room temperature. This is induced by the MPE on the surface of the TCI preserving the coherent topological states without introducing the disorder by doping magnetic impurities. This would open up a way for realizing next-generation spintronics and quantum computational devices.