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Register a new userSurface states of gapped electron systems and semi-metals
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With a generic lattice model for electrons occupying a semi-infinite crystal with a hard surface, we study the eigenstates of the system with a bulk band gap (or the gap with nodal points). The exact solution to the wave functions of scattering states is obtained. From the scattering states, we derive the criterion for the existence of surface states. The wave functions and the energy of the surface states are then determined. We obtain a connection between the wave functions of the bulk states and the surface states. For electrons in a system with time-reversal symmetry, with this connection, we rigorously prove the correspondence between the change of Kramers degeneracy of the surface states and the bulk time-reversal $Z_2$ invariant. The theory is applicable to systems of (topological) insulators, superconductors, and semi-metals. Examples for solving the edge states of electrons with/without the spin-orbit interactions in graphene with a hard zigzag edge and that in a two-dimensional $d$-wave superconductor with a (1,1) edge are given in appendices.
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We study the topologically non-trivial semi-metals by means of the 6-band Kane model. Existence of surface states is explicitly demonstrated by calculating the LDOS on the material surface. In the strain free condition, surface states are divided into two parts in the energy spectrum, one part is in the direct gap, the other part including the crossing point of surface state Dirac cone is submerged in the valence band. We also show how uni-axial strain induces an insulating band gap and raises the crossing point from the valence band into the band gap, making the system a true topological insulator. We predict existence of helical edge states and spin Hall effect in the thin film topological semi-metals, which could be tested with future experiment. Disorder is found to significantly enhance the spin Hall effect in the valence band of the thin films.
We construct the symmetric-gapped surface states of a fractional topological insulator with electromagnetic $theta$-angle $theta_{em} = frac{pi}{3}$ and a discrete $mathbb{Z}_3$ gauge field. They are the proper generalizations of the T-pfaffian state and pfaffian/anti-semion state and feature an extended periodicity compared with their of integer topological band insulators counterparts. We demonstrate that the surface states have the correct anomalies associated with time-reversal symmetry and charge conservation.
A three-dimensional strong-topological-insulator or -semimetal hosts topological surface states which are often said to be gapless so long as time-reversal symmetry is preserved. This narrative can be mistaken when surface state degeneracies occur away from time-reversal-invariant momenta. The mirror-invariance of the system then becomes essential in protecting the existence of a surface Fermi surface. Here we show that such a case exists in the strong-topological-semimetal Bi$_4$Se$_3$. Angle-resolved photoemission spectroscopy and textit{ab initio} calculations reveal partial gapping of surface bands on the Bi$_2$Se$_3$-termination of Bi$_4$Se$_3$(111), where an 85 meV gap along $bar{Gamma}bar{K}$ closes to zero toward the mirror-invariant $bar{Gamma}bar{M}$ azimuth. The gap opening is attributed to an interband spin-orbit interaction that mixes states of opposite spin-helicity.
In an ordinary three-dimensional metal the Fermi surface forms a two-dimensional closed sheet separating the filled from the empty states. Topological semimetals, on the other hand, can exhibit protected one-dimensional Fermi lines or zero-dimensional Fermi points, which arise due to an intricate interplay between symmetry and topology of the electronic wavefunctions. Here, we study how reflection symmetry, time-reversal symmetry, SU(2) spin-rotation symmetry, and inversion symmetry lead to the topological protection of line nodes in three-dimensional semi-metals. We obtain the crystalline invariants that guarantee the stability of the line nodes in the bulk and show that a quantized Berry phase leads to the appearance of protected surfaces states with a nearly flat dispersion. By deriving a relation between the crystalline invariants and the Berry phase, we establish a direct connection between the stability of the line nodes and the topological surface states. As a representative example of a topological semimetal with line nodes, we consider Ca$_3$P$_2$ and discuss the topological properties of its Fermi line in terms of a low-energy effective theory and a tight-binding model, derived from ab initio DFT calculations. Due to the bulk-boundary correspondence, Ca$_3$P$_2$ displays nearly dispersionless surface states, which take the shape of a drumhead. These surface states could potentially give rise to novel topological response phenomena and provide an avenue for exotic correlation physics at the surface.
Iterative Greens function, based on cyclic reduction of block tridiagonal matrices, has been the ideal algorithm, through tight-binding models, to compute the surface density-of-states of semi-infinite topological electronic materials. In this paper, we apply this method to photonic and acoustic crystals, using finite-element discretizations and a generalized eigenvalue formulation, to calculate the local density-of-states on a single surface of semi-infinite lattices. The three-dimensional (3D) examples of gapless helicoidal surface states in Weyl and Dirac crystals are shown and the computational cost, convergence and accuracy are analyzed.
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