Generally, the topological corner state in two-dimensional second-order topological insulator (2D SOTI) is equivalent to the well-known domain wall state, originated from the mass-inversion between two adjacent edges with phase shift of pi. In this work, go beyond this conventional physical picture, we report a fractional mass-kink induced 2D SOTI in monolayer FeSe with canted checkerboard antiferromagnetic (AFM) order by analytic model and first-principles calculations. The canted spin associated in-plane Zeeman field can gap out the quantum spin Hall edge state of FeSe, forming a fractional mass-kink with phase shift of pi/2 at the rectangular corner, and generating an in-gap topological corner state with fractional charge of e/4. Moreover, the topological corner state is robust to local perturbation, existing in both naturally and non-naturally cleaved corners, regardless of the edge orientation. Our results not only demonstrate a material system to realize the unique 2D AFM SOTI, but also pave a new way to design the higher-order topological states from fractional mass-kink with arbitrary phase shift, which are expected to draw immediate experimental attention.
Electronic and magnetic properties of FeSe$_{0.5}$Te$_{0.5}$ : A first-principles study
采用考虑自旋轨道耦合的第一性原理计算，系统地研究了单层FeSe和不同构型的FeSe $_{0.5}$ Te $_{0.5}$的原子结构、电子能带结构和磁性.研究了三种不同的反铁磁（AFM）序，包括棋盘序、共线序和对棋盘序，以及顺磁态。在单层FeSe中，共线AFM顺序被认为是最稳定的顺序，根据以前的调查。用Te原子取代半个Se原子，得到FeSe $_{0.5}$ Te $_{0.5}$中的原子力显微镜对棋盘序为基态磁序。AFM有序的FeSe和FeSe $_{0.5}$ Te $_{0.5}$都具有Dirac锥状能带结构。SOC对狄拉克锥处的能带结构有很大的影响。磁矩的方向（面内或面外）直接决定了Dirac锥能否被SOC打开，间隙值也与具体的磁结构有关。尽管FeSe $_{0.5}$ Te $_{0.5}$中的SOC更强，但是SOC诱导的带隙与FeSe中的带隙相比仅略微增大甚至大大减小。由于Te取代引起的对称性破缺，FeSe $_{0.5}$ Te $_{0.5}$的能带结构具有Rashba-Dresselhaus联合分裂的新特征。我们的研究结果对FeSe $_{0.5}$ Te $_{0.5}$的磁性进行了全面的研究，有助于理解高Tc单层超导体中磁性与超导电性之间的关系。
By means of the first-principles calculations and magnetic topological quantum chemistry, we demonstrate that the low energy physics in the checkerboard antiferromagnetic (AFM) monolayer FeSe, very close to an AFM topological insulator that hosts robust edge states, can be well captured by a double-degenerate fragile topologically flat band just below the Fermi level. The Wilson loop calculations identify that such fragile topology is protected by the $S_{4z}$ symmetry, which gives rise to an AFM higher-order topological insulator that support the bound state with fractional charge $e/2$ at th…
We theoretically study the lattice distortion induced first and second order topological phase transition in rectangular FeSe$_{x}$Te$_{1-x}$ monolayer. When compressing the lattice constant in one direction, our first principles calculation shows that the FeSe$_x$Te$_{1-x}$ undergoes a band inversion at $Γ$ point in a wide dopping range, say $x\in(0.0,0.7)$, which ensures coexistence of the topological band state and the high-T$_{\rm c}$ superconductivity. This unidirectional pressure also leads to the C$_4$ symmetry breaking which is necessary for the monolayer FeSe$_x$Te$_{1-x}$ to support …
In many atomically thin materials their optical absorption is dominated by excitonic transitions. It was recently found that optical selection rules in these materials are influenced by the band topology near the valleys. We propose that gate-controlled band ordering in a single atomic monolayer, through changes in the valley winding number and excitonic transitions, can be probed in helicity-resolved absorption and photoluminescence. This predicted tunable band topology is confirmed by combining an effective Hamiltonian and a Bethe-Salpeter equation for an accurate description of excitons, wi…
We show that monolayer graphene intrinsically hosts higher-order topological corner states, in which electrons are localized topologically at atomic sizes. The emergence of the topological corner states in graphene is due to a nontrivial product of the Zak phases for two independent directions, which can be handily calculated graphically by using the bulk wavefunctions. We give an explicit expression that indicates the existence of topological corner states for various geometric edges and corner angles. We also demonstrate the nontrivial localization nature of the topological corner states in …
Monolayers of transition metal dichalcogenides (TMDs) in the 2H structural phase have been recently classified as higher-order topological insulators (HOTI), protected by $C_3$ rotation symmetry. In addition, theoretical calculations show an orbital Hall plateau in the insulating gap of TMDs, characterized by an orbital Chern number. We explore the correlation between these two phenomena in TMD monolayers in two structural phases: the noncentrosymmetric 2H and the centrosymmetric 1T. Using density functional theory, we confirm the characteristics of 2H-TMDs and reveal that 1T-TMDs are identifi…
High temperature superconductivity in one unit cell (1 UC) FeSe on SrTiO3 heterostructure has become a research frontier in condensed matter physics and material science. The superconducting transition temperature (Tc) of ultrathin FeSe film is significantly enhanced compared to its bulk counterpart and possibly approaches the liquid nitrogen region according to in situ spectroscopic measurements. Particularly, the Fermi surface topology of 1 UC FeSe consists of no hole pockets at Brillouin zone center, which poses a great challenge to the well accepted s+- wave pairing nesting the sign differ…
Based on first-principles calculations and tight-binding model analysis, we propose monolayer graphdiyne as a candidate material for a two-dimensional higher-order topological insulator protected by inversion symmetry. Despite the absence of chiral symmetry, the higher-order topology of monolayer graphdiyne is manifested in the filling anomaly and charge accumulation at two corners. Although its low energy band structure can be properly described by the tight-binding Hamiltonian constructed by using only the $p_z$ orbital of each atom, the corresponding bulk band topology is trivial. The nontr…
Recently, monolayer CoSb/SrTiO$_3$ has been proposed as a candidate harboring interfacial superconductivity in analogy with monolayer FeSe/SrTiO$_3$. Experimentally, while the CoSb-based compounds manifesting as nanowires and thin films have been realized on SrTiO$_3$ substrates, serving as a rich playground, their electronic structures are still unknown and yet to be resolved. Here, we have fabricated CoSb$_{1-x}$ nanoribbons with quasi-one-dimensional stripes on SrTiO$_3$(001) substrates using molecular beam epitaxy, and investigated the electronic structure by in situ angle-resolved photoem…
The interplay between topology and valley degree of freedom has attracted much interest because it can realize new phenomena and applications. Here, based on first-principles calculations, we demonstrate intrinsically valley-polarized quantum anomalous Hall effect in monolayer ferrovalley material: Janus VSiGeN4, of which the edge states are chiral-spin-valley locking. Besides, a small tensile or compressive strain can drive phase transition in the material from valley-polarized quantum anomalous Hall state to half-valley-metal state. With the increase of the strain, the material turns into fe…
Based on first-principles calculations, we predict a new two-dimensional ferromagnetic material that exhibits exotic Fermi surface topology. We show that monolayer hexagonal indium carbide ({\em h}-InC) is thermodynamically and dynamically stable, and it energetically favors the ferromagnetic ordering of spins. The perfectly planar geometry in two dimensions, together with ferromagnetism, gives rise to a unique opportunity to encounter intriguing electronic properties, captured in the Fermi surface and band topology. We show that multiple nodal lines coexist in momentum space, accompanied by t…
Kagome Topology in Two-Dimensional Noble-Metal Monolayers
Institute of Physics and International Center of Physics, University of Brasília（巴西利亚大学物理研究所和国际物理中心）；Computational Materials Laboratory, LCCMat, Institute of Physics, University of Brasília（巴西利亚大学物理学院计算材料实验室）；Modeling and Molecular Simulation Group, São Paulo State University (UNESP), School of Sciences（圣保罗州立大学理学院建模与分子模拟小组）；Department of Applied Physics and Center for Computational Engineering and Sciences, State University of Campinas（坎皮纳斯州立大学应用物理系和计算工程科学中心）
We propose a new family of the d0 orbital XY (X = K, Rb, Cs; Y = N, P, As, Sb, Bi) monolayers with abundant and novel topology and valley properties. The KN, RbN, RbP, RbAs, CsP, CsAs, and CsSb monolayers possess remarkable quantum anomalous Hall effect (QAHE). CsSb monolayer also exhibits extraordinary valley QAHE with giant splitting. Moreover, the topological properties of XY monolayers can be effciently tuned by the in-plane strain, owing to the strain-induced band inversion between the px;y and pz orbitals. Our findings suggest that the d0 orbital XY monolayers can be good candidates for …
The layered semimetal WTe_2 has recently been found to be a two-dimensional topological insulator (2D TI) when thinned down to a single monolayer, with conducting helical edge channels. We report here that intrinsic superconductivity can be induced in this monolayer 2D TI by mild electrostatic doping, at temperatures below 1 K. The 2D TI-superconductor transition can be easily driven by applying a just a small gate voltage. This discovery offers new possibilities for gate-controlled devices combining superconductivity and topology, and could provide a basis for quantum information schemes base…
The Fe-based superconductor Fe (Se,Te) combines non-trivial topology with unconventional superconductivity and may be an ideal platform to realize exotic states such as high-order topological corner modes and Majorana modes. Thin films of Fe (Se,Te) are important for device fabrication, phase sensitive transport measurements and for realizing proposals to engineer higher-order modes. However, while bulk Fe (Se,Te) has been extensively studied with a variety of techniques, the nature of the superconducting order parameter in the monolayer limit has not yet been explored. In this work, we study …
We show theoretically that a heterostructure of monolayer FeTe$_{1-x}$Se$_x$ - a superconducting quantum spin Hall material - with a monolayer of FeTe - a bicollinear antiferromagnet - realizes a higher order topological superconductor phase characterized by emergent Majorana zero modes pinned to the sample corners. We provide a minimal effective model for this system, analyze the origin of higher order topology, and fully characterize the topological phase diagram. Despite the conventional s-wave pairing, we find rather surprising emergence of a novel topological nodal superconductor in the p…
