Acoustic topological phase transition induced by band inversion of high-order compound modes and robust pseudospin-dependent transport

A simple two-dimensional phononic crystal hosting topologically protected edge states is proposed to emulate the quantum spin Hall effect in electronic systems, whose phononic topological phase can be reconfigured through the rotation of scatters. In particular, the band inversion occurs between two pairs of high-order compound states, resulting in topological phase transition from trivial to nontrivial over a relatively broad high-frequency range. This is further evidenced by an effective Hamiltonian derived by the k·p perturbation theory. The phononic topology is related to a pseudo-timereversal symmetry constructed by the point group symmetry of two doubly degenerate eigenstates. Numerical simulations unambiguously demonstrate robust helical edge states whose pseudospin indices are locked to the propagation direction along the interface between topologically trivial and nontrivial phononic crystals. Our designed phononic systems provide potential applications in robust acoustic signal transport along any desired path over a high-frequency range.

Direct dynamical characterization of higher-order topological phases with nested band inversion surfaces

Higher-order topological phases(HOTPs) are systems with topologically protected in-gap boundary states localized at their ed à nT-dimensional boundaries, with d the system dimension and n the order of the topology. This work proposes a dynamics-based characterization of one large class of Z-type HOTPs without specifically relying on any crystalline symmetry considerations. The key element of our innovative approach is to connect quantum quench dynamics with nested configurations of the socalled band inversion surfaces(BISs) of momentum-space Hamiltonians as a sum of operators from the Clifford algebra(a condition that can be partially relaxed), thereby making it possible to dynamically detect each and every order of topology on an equal footing. Given that experiments on synthetic topological matter can directly measure the winding of certain pseudospin texture to determine topological features of BISs, the topological invariants defined through nested BISs are all within reach of ongoing experiments. Further, the necessity of having nested BISs in defining higher-order topology offers a unique perspective to investigate and engineer higher-order topological phase transitions.

Electronic properties and topological phases of ThXY(X= Pb, Au, Pt and Y= Sb, Bi, Sn) compounds

The electronic properties and topological phases of ThXY （X = Pb, Au, Pt, Pd and Y = Sb, Bi, Sn） compounds in the presence of spin-orbit coupling, using density functional theory are investigated. The ThPtSn compound is stable in the ferromagnetic phase and the other ThXY compounds are stable in nonmagnetic phases. Band structures of these compounds in topological phases （insulator or metal） and normal phases within generalized gradient approximation （GGA） and Engel- Vosko generalized gradient approximation （GGA_EV） are compared. The ThPtSn, ThPtBi, ThPtSb, ThPdBi, and ThAuBi compounds have topological phases and the other ThXY compounds have normal phases. Band inversion strengths and topological phases of these compounds at different pressure are studied. It is seen that the band inversion strengths of these compounds are sensitive to pressure and for each compound a second-order polynomial fitted on the band inversion strengths-pressure curves.

Controlling the photoluminescence spectroscopy of quinacrine dihydrochloride by SiO_2 inverse opal photonic crystal

Manipulation of the photoluminescence spectra of light-emitting materials doped in three-dimensional （3D） inverse opal photonic crystals is investigated. Quinacrine dihydrochloride molecules doped highly ordered SiO2 inverse opal is successfully synthesized by co-assembly combined with double-substrate vertical infiltrate method. The quinacrine dihydrochloride-doped and-undoped SiO2 inverse opals each exhibit an apparent photonic band gap （PBG） in the visible light region. Significant suppression of the emission is observed when the PBG is overlapped with the quinacrine dihydrochloride emission bands. The mechanism of suppression effect of PBG in inverse opal on the fluorescence intensity of quinacrine dihydrochloride molecules is studied.

Group 14 element-based non-centrosymmetric quantum spin Hall insulators with large bulk gap

To date, a number of two-dimensional （2D） topological insulators （TIs） have been realized in Group 14 elemental honeycomb lattices, but all are inversionsymmetric. Here, based on first-principles calculations, we predict a new family of 2D inversion-asymmetric TIs with sizeable bulk gaps from 105 meV to 284 meV, in X2-GeSn （X = H, F, Cl, Br, I） monolayers, making them in principle suitable for room-temperature applications. The nontrivial topological characteristics of inverted band orders are identified in pristine X2-GeSn with X = （F, Cl, Br, I）, whereas H2-GeSn undergoes a nontrivial band inversion at 8% lattice expansion. Topologically protected edge states are identified in X2-GeSn with X = （F, Cl, Br, I）, as well as in strained H2-GeSn. More importantly, the edges of these systems, which exhibit single-Dirac-cone characteristics located exactly in the middle of their bulk band gaps, are ideal for dissipationless transport. Thus, Group 14 elemental honeycomb lattices provide a fascinating playground for the manipulation of quantum states.

A simple and efficient criterion for ready screening of potential topological insulators

Topological materials are a new and rapidly expanding class of quantum matter. To date, identification of the topological nature of a given compound material demands specific determination of the appropriate topological invariant through detailed electronic structure calculations. Here we present an efficient criterion that allows ready screening of potential topological materials, using topological insulators as prototypical examples. The criterion is inherently tied to the band inversion induced by spin-orbit coupling,and is uniquely defined by a minimal number of two elemental physical properties of the constituent elements: the atomic number and Pauling electronegativity. The validity and predictive power of the criterion is demonstrated by rationalizing many known topological insulators and potential candidates in the tetradymite and half-Heusler families, and the underlying design principle is naturally also extendable to predictive discoveries of other classes of topological materials.

New family of Dirac and Weyl semimetals in XAuTe(X=Na, K,Rb) ternary honeycomb compounds

We propose a new family of 3D Dirac semimetals based on XAuTe(X = K, Na, Rb) ternary honeycomb compounds, determined based on first-principles calculations, which are shown to be topological Dirac semimetals in which the Dirac points are induced by band inversion. Dirac points with four-fold degeneracy that are protected by C3 rotation symmetry and located on the Γ-A high-symmetry path are found. Through spatial-inversion symmetry breaking, a K(Au0.5 Hg0.5)(Te0.5As0.5) superlattice structure composed of KHgAs and KAuTe compounds is proven to be a Weyl semimetal with type-II Weyl points, which connect electronand hole-like bands. In this superlattice structure, the six pairs of Weyl nodes are distributed along the K-Γ high-symmetry path on the kz = 0 plane. Our research expands the family of topological Dirac and type-II Weyl semimetals.

Prediction of a large-gap quantum-spin-Hall insulator： Diamond-like GaBi bilayer

A quantum-spin-Hall （QSH） state was achieved experimentally, albeit at a low critical temperature because of the narrow band gap of the bulk material. Two- dimensional topological insulators are critically important for realizing novel topological applications. Using density functional theory （DFT）, we demonstrated that hydrogenated GaBi bilayers （HGaBi） form a stable topological insulator with a large nontrivial band gap of 0.320 eV, based on the state-of-the-art hybrid functional method, which is implementable for achieving QSH states at room temperature. The nontrivial topological property of the HGaBi lattice can also be confirmed from the appearance of gapless edge states in the nanoribbon structure. Our results provide a versatile platform for hosting nontrivial topological states usable for important nanoelectronic device applications.

Alkali-metal-induced topological nodal line semimetal in layered XN2 （X=Cr, Mo, W）

Based on first principles calculations and the K.p effective model, we propose that alkali metal depo- sition on the surface of hexagonal XN2 （X- Cr, Mo, W） nanosheets induces topologically nontrivial phases in these systems. When spin orbit coupling （SOC） is disregarded, the electron-like conduction band from N-pz orbitals can be considered to cross the hole-like valence band from X-d2z orbitals, thereby giving rise to a topological nodal line state in lithium-functionalized XN2 sheets （Li2MoN2 and Li2WN2）. Such band crossing is protected by the existence of mirror reflection and time reversal symmetry. More interestingly, the bands cross exactly at the Fermi level, and the linear dispersion regions of such band crossings extend to as high as 0.9 eV above the crossing. For Li2CrN2, the results reveal the emergence of a Dirac cone at the Fermi level. Our calculations show that lattice compression decreases the thickness of a Li2CrN2 nanosheet, leading to phase transition to a nodal line semimetal. The evolution of the band gap of Li2XN2 at the F point indicates that the nontrivial topological character of Li2XN2 nanolayers is stable over a large strain range. When SOC is included, the band crossing point is gapped out giving rise to quantum spin Hall states in Li2CrN2 nanosheets, while for Li2MoN2, the SOC-induced gap at the crossing points is negligible.