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Flat bands and nontrivial topological physics are two important topics of condensed matter physics. With a unique stacking configuration analogous to the Su-Schrieffer-Heeger (SSH) model, rhombohedral graphite (RG) is a potential candidate for realizing both flat bands and nontrivial topological physics. Here we report experimental evidence of topological flat bands (TFBs) on the surface of bulk RG, which are topologically protected by bulk helical Dirac nodal lines via the bulk-boundary correspondence. Moreover, upon {\it in situ} electron doping, the surface TFBs show a splitting with exotic doping evolution, with an order-of-magnitude increase in the bandwidth of the lower split band, and pinning of the upper band near the Fermi level. These experimental observations together with Hartree-Fock calculations suggest that correlation effects are important in this system. Our results demonstrate RG as a new platform for investigating the rich interplay between nontrivial band topology, correlation effects, and interaction-driven symmetry-broken states., Comment: 15 pages, 5 figures

The interplay of chiralities in light and quantum matter provides an opportunity to design and manipulate chirality-dependent properties in quantum materials. Herein we report the chirality-dependent Floquet engineering on topological fermions with the high Chern number in chiral crystal CoSi via circularly polarized light (CPL) pumping. Intense light pumping does not compromise the gapless nature of topological fermions in CoSi, but displaces the crossing points in momentum space along the direction of light propagation. The Floquet chirality index is proposed to signify the interplay between the chiralities of topological fermion, crystal, and incident light, which determines the amplitudes and directions of light-induced momentum shifts. Regarding the time-reversal symmetry breaking induced by the CPL pumping, momentum shifts of topological fermions result in the birth of transient anomalous Hall signals in non-magnetic CoSi within an ultrafast time scale, which Mid-infrared (IR) pumping and terahertz (THz) Kerr or Faraday probe spectroscopy could experimentally detect. Our findings provide insights into exploring novel applications in optoelectronic devices by leveraging the degree of freedom of chirality in the non-equilibrium regime.

In twisted bilayer graphene (TBG) devices, local strains often coexist and entangle with the twist-angle dependent moir\'e superlattice, both of which can significantly affect the electronic properties of TBG. Here, using low-temperature scanning tunneling microscopy, we investigate the fine evolution of the electronic structures of a TBG device with continuous variation of twist angles from 0.32{\deg} to 1.29{\deg}, spanning the first (1.1{\deg}), second (0.5{\deg}) and third (0.3{\deg}) magic angles. We reveal the exotic behavior of the flat bands and remote bands in both the energy space and real space near the magic angles. Interestingly, we observe an anomalous spectral weight transfer between the two flat band peaks in the tunneling spectra when approaching the first magic angle, suggesting strong inter-flat-bands interactions. The position of the remote band peak can be an index for the twist angle in TBG, since it positively correlates with the twist angle but is insensitive to the strain. Moreover, influences of the twist angle gradient on symmetry breaking of the flat bands are also studied.

Topological Dirac nodal-line semimetals host topologically nontrivial electronic structure with nodal-line crossings around the Fermi level, which could affect the photocarrier dynamics and lead to novel relaxation mechanisms. Herein, by using time- and angle-resolved photoemission spectroscopy, we reveal the previously-inaccessible linear dispersions of the bulk conduction bands above the Fermi level in a Dirac nodal-line semimetal PtSn$_4$, as well as the momentum and temporal evolution of the gapless nodal lines. A surprisingly ultrafast relaxation dynamics within a few hundred femtoseconds is revealed for photoexcited carriers in the nodal line. Theoretical calculations suggest that such ultrafast carrier relaxation is attributed to the multichannel scatterings among the complex metallic bands of PtSn$_4$ via electron-phonon coupling. In addition, a unique dynamic relaxation mechanism contributed by the highly anisotropic Dirac nodal-line electronic structure is also identified. Our work provides a comprehensive understanding of the ultrafast carrier dynamics in a Dirac nodal-line semimetal.

Interactions between light and matter allow the realization of out-of-equilibrium states in quantum solids. In particular, nonlinear phononics is one of the efficient approaches to realizing the stationary electronic state in non-equilibrium. Herein, by using extended $ab~initio$ molecular dynamics, we identify that long-lived light-driven quasi-stationary geometry could stabilize the topological nature in the material family of HgTe compounds. We show that coherent excitation of the infrared-active phonon mode results in a distortion of the atomic geometry with a lifetime of several picoseconds. We show that four Weyl points are located exactly at the Fermi level in this non-equilibrium geometry, making it an ideal long-lived metastable Weyl semimetal. We propose that such a metastable topological phase can be identified by photoelectron spectroscopy of the Fermi arc surface states or ultrafast pump-probe transport measurements of the nonlinear Hall effect., Comment: 4 Figures

Antiferromagnetic (AFM) topological insulators (TIs), which host magnetically gapped Dirac-cone surface states and exhibit many exotic physical phenomena, have attracted great attention. Here, we find that the coupled surface states can be intertwined to give birth to a set of $2n$ unique new Dirac cones, dubbed intertwined Dirac cones, through the anisotropic coupling enforced by crystalline $n$-fold ($n=2, 3, 4, 6$) rotation symmetry $C_{nz}$ in the presence of a $PT$-symmetry breaking potential, for example, an electric field. Interestingly, we also find that the warping effect further drives the intertwined Dirac-cone state into a quantum anomalous Hall phase with a high Chern number ($C=n$). Then, based on first-principles calculations, we have explicitly demonstrated six intertwined Dirac cones and a Chern insulating phase with a high Chern number ($C=3$) in MnBi$_2$Te$_4$$/$(Bi$_2$Te$_3$)$_{\mathrm{m}}/$MnBi$_2$Te$_4$ heterostructures, as well as the $C=2$ and $C=4$ phases in HgS and $\alpha$-Ag$_2$Te films, respectively. This work discovers the intertwined Dirac-cone state in AFM TI thin films, which reveals a mechanism for designing the quantum anomalous Hall state with a high Chern number and also paves a way for studying highly tunable high-Chen-number flat bands of twistronics., Comment: 9 pages, 4 figures+supplemental materials

Time-periodic light field can dress the electronic states and lead to light-induced emergent properties in quantum materials. While below-gap pumping is regarded favorable for Floquet engineering, so far direct experimental evidence of momentum-resolved band renormalization still remains missing. Here, we report experimental evidence of light-induced band renormalization in black phosphorus by pumping at photon energy of 160 meV which is far below the band gap, and the distinction between below-gap pumping and near-resonance pumping is revealed. Our work demonstrates light-induced band engineering upon below-gap pumping, and provides insights for extending Floquet engineering to more quantum materials.

Majorana bound states (MBSs) are building blocks for topological quantum computing. They can be generated via the combination of electronic topology and superconductivity. To achieve logic operations via Majorana braiding, positional control of the MBS must be established. To this end, exotic co-existing phases or collective modes in an intrinsic topological superconductor can provide a tuning knob to manipulate the MBS. Here we report the observation of a striped surface charge order coexisting with superconductivity and its controllable tuning of the MBS in the topological superconductor 2M-WS2 using low-temperature scanning tunneling microscopy. By applying an out-of-plane magnetic field, we observe that MBS is absent in vortices in the region with strong stripe order. This is in contrast to adjacent underlaying layers without charge order where vortex-bound MBSs are observed. Via theoretical simulations, we show that the surface stripe order does not destroy the bulk topology, but it can effectively modify the spatial distribution of MBS, i.e., it pushes them downward away from the 2M-WS2 surface. Our findings demonstrate that the interplay of charge order and topological superconductivity can be used to manipulate the positions of the MBS, and to explore of new states of matter., Comment: 20 pages, 4 figures

We studied electronic band structure and topological property of a topological insulator thin film under a moir\'e superlattice potential to search for two-dimensional (2D) $\mathbb Z_2$ non-trivial isolated mini-bands. To model this system, we assume the Fermi energy inside the bulk band gap and thus consider an effective model Hamiltonian with only two surface states that are located at the top and bottom surfaces and strongly hybridized with each other. The moir\'e potential is generated by another layer of 2D insulating materials on top of topological insulator films. In this model, the lowest conduction (highest valence) mini-bands can be $\mathbb Z_2$ non-trivial when the minima (maxima) of the moir\'e potential approximately forms a hexagonal lattice with six-fold rotation symmetry. For the nontrivial conduction mini-band cases, the two lowest Kramers' pairs of conduction mini-bands both have nontrivial $\mathbb Z_2$ invariant in presence of inversion, while applying external gate voltages to break inversion leads to only the lowest Kramers' pair of mini-bands to be topologically non-trivial. The Coulomb interaction can drive the lowest conduction Kramers' mini-bands into the quantum anomalous Hall state when they are half-filled, which is further stabilized by breaking inversion symmetry. We propose the monolayer Sb$_{2}$ on top of Sb$_2$Te$_3$ thin films to realize our model based on results from the first principles calculations.

Time-periodic light field has emerged as a control knob for manipulating quantum states in solid-state materials, cold atoms and photonic systems via hybridization with photon-dressed Floquet states in the strong coupling limit, dubbed as Floquet engineering. Such interaction leads to tailored properties of quantum materials, for example, modifications of the topological properties of Dirac materials and modulation of the optical response. Despite extensive research interests over the past decade, there is no experimental evidence of momentum-resolved Floquet band engineering of semiconductors, which is a crucial step to extend Floquet engineering to a wide range of solid-state materials. Here, based on time- and angle-resolved photoemission spectroscopy measurements, we report experimental signatures of Floquet band engineering in a model semiconductor - black phosphorus. Upon near-resonance pumping at photon energy of 340 to 440 meV, a strong band renormalization is observed near the band edges. In particular, light-induced dynamical gap opening is resolved at the resonance points, which emerges simultaneously with the Floquet sidebands. Moreover, the band renormalization shows a strong selection rule favoring pump polarization along the armchair direction, suggesting pseudospin selectivity for the Floquet band engineering as enforced by the lattice symmetry. Our work demonstrates pseudospin-selective Floquet band engineering in black phosphorus, and provides important guiding principles for Floquet engineering of semiconductors.

Light-matter interaction in 2D and topological materials provides a fascinating control knob for inducing emergent, non-equilibrium properties and achieving new functionalities in the ultrafast time scale (from fs to ps). Over the past decade, intriguing light-induced phenomena, e.g., Bloch-Floquet states and photo-induced phase transitions, have been reported experimentally, but many still await experimental realization. In this Review, we discuss recent progress on the light-induced phenomena, in which the light field could act as a time-periodic field to drive Floquet states, induce structural and topological phase transitions in quantum materials, couple with spin and various pseudospins, and induce nonlinear optical responses that are affected by the geometric phase. Perspectives on the opportunities of proposed light-induced phenomena as well as open experimental challenges are also discussed.

Controlling the magnetic anisotropy of ferromagnetic materials plays a key role in magnetic switching devices and spintronic applications. Examples of spin-orbit torque devices with different magnetic anisotropy geometries (in-plane or out-of-plane directions) have been demonstrated with novel magnetization switching mechanisms for extended device functionalities. Normally, the intrinsic magnetic anisotropy in ferromagnetic materials is unchanged within a fixed direction, and thus, it is difficult to realize multifunctionality devices. Therefore, continuous modulation of magnetic anisotropy in ferromagnetic materials is highly desired but remains challenging. Here, we demonstrate a gate-tunable magnetic anisotropy transition from out-of-plane to canted and finally to in-plane in layered Fe$_5$GeTe$_2$ by combining the measurements of the angle-dependent anomalous Hall effect and magneto-optical Kerr effect with quantitative Stoner-Wohlfarth analysis. The magnetic easy axis continuously rotates in a spin-flop pathway by gating or temperature modulation. Such observations offer a new avenue for exploring magnetization switching mechanisms and realizing new spintronic functionalities., Comment: 4 figures

Many-body interactions between quasiparticles (electrons, excitons, and phonons) have led to the emergence of new complex correlated states and are at the core of condensed matter physics and material science. In low-dimensional materials, unique electronic properties for these correlated states could significantly affect their optical properties. Herein, combining photoluminescence, optical reflection measurements and theoretical calculations, we demonstrate an unconventional excitonic state and its bound phonon sideband in layered silicon diphosphide (SiP$_2$), in which the bound electron-hole pair is composed of electrons confined within one-dimensional phosphorus$-$phosphorus chains and holes extended in two-dimensional SiP$_2$ layers. The excitonic state and the emergent phonon sideband show linear dichroism and large energy redshifts with increasing temperature. Within the $GW$ plus Bethe$-$Salpeter equation calculations and solving the generalized Holstein model non-perturbatively, we confirm that the observed sideband feature results from the correlated interaction between excitons and optical phonons. Such a layered material provides a new platform to study excitonic physics and many-particle effects.

The phenomenon originating from spin-orbit coupling (SOC) provides energy-efficient strategies for spin manipulation and device applications. The broken inversion symmetry interface and resulting electric field induce a Rashba-type spin-orbit field (SOF), which has been demonstrated to generate spin-orbit torque for data storage applications. In this study, we found that spin flipping can be achieved by the valley-Zeeman SOF in monolayer WSe2 at room temperature, which manifests as a negative magnetoresistance in the vertical spin valve. Quantum transmission calculations based on an effective model near the K valley of WSe2 confirm the precessional spin transport of carriers under the giant SOF, which is estimated to be 650 T. In particular, the valley-Zeeman SOF-induced spin dynamics was demonstrated to be tunable with the layer number and stacking phase of WSe2 as well as the gate voltage, which provides a novel strategy for spin manipulation and can benefit the development of ultralow-power spintronic devices., Comment: 7 pages,3 figures

Dynamic manipulation of magnetism in topological materials is demonstrated here via a Floquet engineering approach using circularly polarized light. Increasing the strength of the laser field, besides the expected topological phase transition, the magnetically doped topological insulator thin film also undergoes a magnetic phase transition from ferromagnetism to paramagnetism, whose critical behavior strongly depends on the quantum quenching. In sharp contrast to the equilibrium case, the non-equilibrium Curie temperatures vary for different time scale and experimental setup, not all relying on change of topology. Our discoveries deepen the understanding of the relationship between topology and magnetism in the non-equilibrium regime and extend optoelectronic device applications to topological materials., Comment: 4 figures

We study disorder induced topological phase transitions in magnetically doped (Bi, Sb)$_2$Te$_3$ thin films, by using large scale transport simulations of the conductance through a disordered region coupled to reservoirs in the quantum spin Hall regime. Besides the disorder strength, the rich phase diagram also strongly depends on the magnetic exchange field, the Fermi level, and the initial topological state in the undoped and clean limit of the films. In an initially trivial system at non-zero exchange field, varying the disorder strength can induce a sequence of transitions from a normal insulating, to a quantum anomalous Hall, then a spin-Chern insulating, and finally an Anderson insulating state. While for a system with topology initially, a similar sequence, but only starting from the quantum anomalous Hall state, can be induced. Varying the Fermi level we find a similarly rich phase diagram, including transitions from the quantum anomalous Hall to the spin-Chern insulating state via a state that behaves as a mixture of a quantum anomalous Hall and a metallic state, akin to recent experimental reports.

Recent advances in tuning electronic, magnetic, and topological properties of two-dimensional (2D) magnets have opened a new frontier in the study of quantum physics and promised exciting possibilities for future quantum technologies. In this study, we find that the dual-gate technology can well tune the electronic and topological properties of antiferromagnetic (AFM) even septuple-layer (SL) MnBi$_2$Te$_4$ thin films. Under an out-of-plane electric field that breaks $\mathcal{PT}$ symmetry, the Berry curvature of the thin film could be engineered efficiently, resulting in a huge change of anomalous Hall (AH) signal. Beyond the critical electric field, the double-SL MnBi$_2$Te$_4$ thin film becomes a Chern insulator with a high Chern number of 3. We further demonstrate that such 2D material can be used as an AFM switch via electric-field control of the AH signal. These discoveries inspire the design of low-power memory prototype for future AFM spintronic applications., Comment: 7 pages, 4 figures

Freestanding single-bilayer Bi(111) is a two-dimensional topological insulator with edge states propagating along its perimeter. Given the interlayer coupling experimentally, the topological nature of Bi(111) thin films and the impact of the supporting substrate on the topmost Bi bilayer are still under debate. Here, combined with scanning tunneling microscopy and first-principles calculations, we systematically study the electronic properties of Bi(111) thin films grown on a NbSe2 substrate. Two types of non-magnetic edge structures, i.e., a conventional zigzag edge and a 2x1 reconstructed edge, coexist alternately at the boundaries of single bilayer islands, the topological edge states of which exhibit remarkably different energy and spatial distributions. Prominent edge states are persistently visualized at the edges of both single and double bilayer Bi islands, regardless of the underlying thickness of Bi(111) thin films. We provide an explanation for the topological origin of the observed edge states that is verified with first-principles calculations. Our paper clarifies the long-standing controversy regarding the topology of Bi(111) thin films and reveals the tunability of topological edge states via edge modifications., Comment: 36 pages, 10 figures

Exciting advances have been made in artificial intelligence (AI) during the past decades. Among them, applications of machine learning (ML) and deep learning techniques brought human-competitive performances in various tasks of fields, including image recognition, speech recognition and natural language understanding. Even in Go, the ancient game of profound complexity, the AI player already beat human world champions convincingly with and without learning from human. In this work, we show that our unsupervised machines (Atom2Vec) can learn the basic properties of atoms by themselves from the extensive database of known compounds and materials. These learned properties are represented in terms of high dimensional vectors, and clustering of atoms in vector space classifies them into meaningful groups in consistent with human knowledge. We use the atom vectors as basic input units for neural networks and other ML models designed and trained to predict materials properties, which demonstrate significant accuracy., Comment: 8 pages, 4 figures

Superconductors at the atomic two-dimensional (2D) limit are the focus of an enduring fascination in the condensed matter community. This is because, with reduced dimensions, the effects of disorders, fluctuations, and correlations in superconductors become particularly prominent at the atomic 2D limit; thus such superconductors provide opportunities to tackle tough theoretical and experimental challenges. Here, based on the observation of ultrathin 2D superconductivity in mono- and bilayer molybdenum disulfide (MoS$_2$) with electric-double-layer (EDL) gating, we found that the critical sheet carrier density required to achieve superconductivity in a monolayer MoS$_2$ flake can be as low as 0.55*10$^{14}$cm$^{-2}$, which is much lower than those values in the bilayer and thicker cases in previous report and also our own observations. Further comparison of the phonon dispersion obtained by ab initio calculations indicated that the phonon softening of the acoustic modes around the M point plays a key role in the gate-induced superconductivity within the Bardeen-Cooper Schrieffer (BCS) theory framework. This result might help enrich the understanding of 2D superconductivity with EDL gating.

Recently, orthorhombic CuMnAs has been proposed to be a magnetic material where topological fermions exist around the Fermi level. Here we report the magnetic structure of the orthorhombic Cu0.95MnAs and Cu0.98Mn0.96As single crystals. While Cu0.95MnAs is a commensurate antiferromagnet (C-AFM) below 360 K with a propagation vector of k = 0, Cu0.98Mn0.96As undergoes a second-order paramagnetic to incommensurate antiferromagnetic (IC-AFM) phase transition at 320 K with k = (0.1,0,0), followed by a second-order IC-AFM to C-AFM phase transition at 230 K. In the C-AFM state, the Mn spins order parallel to the b-axis but antiparallel to their nearest-neighbors with the easy axis along the b axis. This magnetic order breaks Ry gliding and S2z rotational symmetries, the two crucial for symmetry analysis, resulting in finite band gaps at the crossing point and the disappearance of the massless topological fermions. However, the spin-polarized surface states and signature induced by non-trivial topology still can be observed in this system, which makes orthorhombic CuMnAs promising in antiferromagnetic spintronics.

Exotic massless fermionic excitations with non-zero Berry flux, other than Dirac and Weyl fermions, could exist in condensed matter systems under the protection of crystalline symmetries, such as spin-1 excitations with 3-fold degeneracy and spin-3/2 Rarita-Schwinger-Weyl fermions. Herein, by using ab initio density functional theory, we show that these unconventional quasiparticles coexist with type-I and type-II Weyl fermions in a family of transition metal silicides, including CoSi, RhSi, RhGe and CoGe, when the spin-orbit coupling (SOC) is considered. Their non-trivial topology results in a series of extensive Fermi arcs connecting projections of these bulk excitations on side surface, which is confirmed by (010) surface electronic spectra of CoSi. In addition, these stable arc states exist within a wide energy window around the Fermi level, which makes them readily accessible in angle-resolved photoemission spectroscopy measurements., Comment: 5 pages, 4 figures, Comments are welcome

The analogues of elementary particles have been extensively searched for in condensed matter systems because of both scientific interests and technological applications. Recently massless Dirac fermions were found to emerge as low energy excitations in the materials named Dirac semimetals. All the currently known Dirac semimetals are nonmagnetic with both time-reversal symmetry $\mathcal{T}$ and inversion symmetry $\mathcal{P}$. Here we show that Dirac fermions can exist in one type of antiferromagnetic systems, where $\mathcal{T}$ and $\mathcal{P}$ are broken but their combination $\mathcal{PT}$ is respected. We propose orthorhombic antiferromagnet CuMnAs as a candidate, analyze the robustness of the Dirac points with symmetry protections, and demonstrate its distinctive bulk dispersions as well as the corresponding surface states by \emph{ab initio} calculations. Our results give a new route towards the realization of Dirac materials, and provide a possible platform to study the interplay of Dirac fermion physics and magnetism.

Based on first-principles calculations, we find that LiZnBi, a metallic hexagonal $ABC$ compound, can be driven into a Dirac semimetal with a pair of Dirac points by strain. The nontrivial topological nature of the strained LiZnBi is directly demonstrated by calculating its $\mathbb{Z}_2$ index and the surface states, where the Fermi arcs are clearly observed. The low-energy states as well as topological properties are shown to be sensitive to the strain configurations. The finding of Dirac semimetal phase in LiZnBi may intrigue further researches on the topological properties of hexagonal $ABC$ materials and promote new practical applications., Comment: 12 pages, 6 figures

The low energy physics of both graphene and surface states of three-dimensional topological insulators is described by gapless Dirac fermions with linear dispersion. In this work, we predict the emergence of a "heavy" Dirac fermion in a graphene/topological insulator hetero-junction, where the linear term almost vanishes and the corresponding energy dispersion becomes highly non-linear. By combining {\it ab initio} calculations and an effective low-energy model, we show explicitly how strong hybridization between Dirac fermions in graphene and the surface states of topological insulators can reduce the Fermi velocity of Dirac fermions. Due to the negligible linear term, interaction effects will be greatly enhanced and can drive "heavy" Dirac fermion states into the half quantum Hall state with non-zero Hall conductance., Comment: 2 figures

Three dimensional topological Dirac semi-metals represent a novel state of quantum matter with exotic electronic properties, in which a pair of Dirac points with the linear dispersion along all momentum directions exist in the bulk. Herein, by using the first principles calculations, we discover a new metastable allotrope of Ge and Sn in the staggered layered dumbbell structure, named as germancite and stancite, to be Dirac semi-metals with a pair of Dirac points on its rotation axis. On the surface parallel to the rotation axis, a pair of topologically non-trivial Fermi arcs are observed and a Lifshitz transition is found by tuning the Fermi level. Furthermore, the quantum thin film of germancite is found to be an intrinsic quantum spin Hall insulator. These discoveries suggest novel physical properties and future applications of the new metastable allotrope of Ge and Sn., Comment: 4 figures

As one of the simplest systems for realizing Majorana fermions, topological superconductor plays an important role in both condensed matter physics and quantum computations. Based on \emph{ab~initio} calculations and the analysis of an effective 8-band model with the superconducting pairing, we demonstrate that the three dimensional extended $s$-wave Fe-based superconductors such as Fe$_{1+\text{y}}$Se$_{0.5}$Te$_{0.5}$ have a metallic topologically nontrivial band structure, and exhibit a normal-topological-normal superconductivity phase transition on the ($001$) surface by tuning the bulk carrier doping level. In the topological superconductivity (TSC) phase, a Majorana zero mode is trapped at the end of a magnetic vortex line. We further show that, the surface TSC phase only exists up to a certain bulk pairing gap, and there is a normal-topological phase transition driven by the temperature, which has not been discussed before. These results pave an effective way to realize the TSC and Majorana fermions in a large class of superconductors.

The existence of gapless Dirac surface band of a three dimensional (3D) topological insulator (TI) is guaranteed by the non-trivial topological character of the bulk band, yet the surface band dispersion is mainly determined by the environment near the surface. In this Letter, through in-situ angle-resolved photoemission spectroscopy (ARPES) and the first-principles calculation on 3D TI-based van der Waals heterostructures, we demonstrate that one can engineer the surface band structures of 3D TIs by surface modifications without destroying their topological non-trivial property. The result provides an accessible method to independently control the surface and bulk electronic structures of 3D TIs, and sheds lights in designing artificial topological materials for electronic and spintronic purposes., Comment: main text, 15 pages, 5 figures, supporting materials added, accepted by PRL. Comments are welcomed

Two-dimensional stanene is a promising candidate material for realizing room-temperature quantum spin Hall (QSH) effect. Monolayer stanene has recently been fabricated by molecular beam epitaxy, but shows metallic features on Bi$_2$Te$_3$(111) substrate, which motivates us to study the important influence of substrate. Based on first-principles calculations, we find that varying substrate conditions considerably tunes electronic properties of stanene. The supported stanene gives either trivial or QSH states, with significant Rashba splitting induced by inversion asymmetry. More importantly, large-gap (up to 0.3 eV) QSH states are realizable when growing stanene on various substrates, like the anion-terminated (111) surfaces of SrTe, PbTe, BaSe and BaTe. These findings provide significant guidance for future research of stanene and large-gap QSH states.

The IrTe2 transition metal dichalcogenide undergoes a series of structural and electronic phase transitions when doped with Pt. The nature of each phase and the mechanism of the phase transitions have attracted much attention. In this paper, we report scanning tunneling microscopy and spectroscopy studies of Pt doped IrTe2 with varied Pt contents. In pure IrTe2, we find that the ground state has a 1/6 superstructure, and the electronic structure is inconsistent with Fermi surface nesting induced charge density wave order. Upon Pt doping, the crystal structure changes to a 1/5 superstructure and then to a quasi-periodic hexagonal phase. First principles calculations show that the superstructures and electronic structures are determined by the global chemical strain and local impurity states that can be tuned systematically by Pt doping., Comment: 6 figures

The interaction between magnetic impurities and the gapless surface state is of critical importance for realizing novel quantum phenomena and new functionalities in topological insulators. By combining angle-resolved photoemission spectroscopic experiments with density functional theory calculations, we show that surface deposition of Cr atoms on Bi$_2$Se$_3$ does not lead to gap opening of the surface state at the Dirac point, indicating the absence of long-range out-of-plane ferromagnetism down to our measurement temperature of 15 K. This is in sharp contrast to bulk Cr doping, and the origin is attributed to different Cr occupation sites. These results highlight the importance of nanoscale configuration of doped magnetic impurities in determining the electronic and magnetic properties of topological insulators., Comment: Nano Letter, DOI: 10.1021/nl504900s

With angle-resolved photoemission spectroscopy, gap-opening is resolved at up to room temperature in the Dirac surface states of molecular beam epitaxy grown Cr-doped Bi2Se3 topological insulator films, which however show no long-range ferromagnetic order down to 1.5 K. The gap size is found decreasing with increasing electron doping level. Scanning tunneling microscopy and first principles calculations demonstrate that substitutional Cr atoms aggregate into superparamagnetic multimers in Bi2Se3 matrix, which contribute to the observed chemical potential dependent gap-opening in the Dirac surface states without long-range ferromagnetic order., Comment: 20 pages, 4 figures

We predict from first-principles calculations a novel structure of stanene with dumbbell units (DB), and show that it is a two-dimensional topological insulator with inverted band gap which can be tuned by compressive strain. Furthermore, we propose that the boron nitride sheet and reconstructed ($2\times2$) InSb(111) surfaces are ideal substrates for the experimental realization of DB stanene, maintaining its non-trivial topology. Combined with standard semiconductor technologies, such as magnetic doping and electrical gating, the quantum anomalous Hall effect, Chern half metallicity and topological superconductivity can be realized in DB stanene on those substrates. These properties make the two-dimensional supported stanene a good platform for the study of new quantum spin Hall insulator as well as other exotic quantum states of matter., Comment: 4 figures

Based on first-principles calculations, we predict Bi2TeI, a stoichiometric compound synthesized, to be a weak topological insulator (TI) in layered subvalent bismuth telluroiodides. Within a bulk energy gap of 80 meV, two Dirac-cone-like topological surface states exist on the side surface perpendicular to BiTeI layer plane. These Dirac cones are relatively isotropic due to the strong inter-layer coupling, distinguished from those of previously reported weak TI candidates. Moreover, with chemically stable cladding layers, the BiTeI-Bi2-BiTeI sandwiched structure is a robust quantum spin Hall system, which can be obtained by simply cleaving the bulk Bi2TeI., Comment: 4.5 pages, 4 figures