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The characterization and applications of topological insulators depend critically on their protected surface states, which, however, can be obscured by the presence of trivial dangling bond states. Our first principle calculations show that this is the case for the pristine $(111)$ surface of SnTe. Yet, the predicted surface states unfold when the dangling bond states are passivated in proper chemisorption. We further extract the anisotropic Fermi velocities, penetration lengths and anisotropic spin textures of the unfolded $barGamma$- and $bar M$-surface states, which are consistent with the theory in http://dx.doi.org/10.1103/PhysRevB.86.081303 Phys. Rev. B 86, 081303 (R). More importantly, this chemisorption scheme provides an external control of the relative energies of different Dirac nodes, which is particularly desirable in multi-valley transport.
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We demonstrate that the metallic topological surface states wrap on all sides the 3D topological crystalline insulator SnTe. This is achieved by studying oscillatory quantum magneto-transport and magnetization at tilted magnetic fields which enables us to observe simultaneous contributions from neighbouring sample sides. Taking into account pinning of the Fermi energy by the SnTe reservoir we successfully describe theoretically the de Haas-van Alphen oscillations of magnetization. The determined pi-Berry phase of surface states confirms their Dirac fermion character. We independently observe oscillatory contributions of magneto-transport and magnetization originating from the bulk SnTe reservoir of high hole density. It is concluded that the bulk and surface Landau states exist in parallel. Our main result that the bulk reservoir is surrounded on all sides by the topological surface states has an universal character.
The topological order of single-crystal Bi and its surface states on the (111) surface are studied in detail based on empirical tight-binding (TB) calculations. New TB parameters are presented that are used to calculate the surface states of semi-infinite single-crystal Bi(111), which agree with the experimental angle-resolved photoelectron spectroscopy results. The influence of the crystal lattice distortion is surveyed and a topological phase transition is found that is driven by in-plane expansion. In contrast with the semi-infinite system, the surface-state dispersions on finite-thickness slabs are non-trivial irrespective of the bulk topological order. The role of the interaction between the top and bottom surfaces in the slab is systematically studied, and it is revealed that a very thick slab is required to properly obtain the bulk topological order of Bi from the (111) surface state: above 150 biatomic layers in this case.
We present a theoretical study of surface states close to 3d transition metal adatoms (Cr, Mn, Fe, Co, Ni and Cu) on a Cu(111) surface in terms of an embedding technique using the fully relativistic Korringa-Kohn-Rostoker method. For each of the adatoms we found resonances in the s-like states to be attributed to a localization of the surface states in the presence of an impurity. We studied the change of the s-like densities of states in the vicinity of the surface state band-edge due to scattering effects mediated via the adatoms d-orbitals. The obtained results show that a magnetic impurity causes spin-polarization of the surface states. In particular, the long-range oscillations of the spin-polarized s-like density of states around an Fe adatom are demonstrated.
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We report molecular beam epitaxial growth of a SnTe (111) layer on a CdTe template, fabricated by depositing it on a GaAs (111)A substrate, instead of BaF$_2$ which has been conventionally used as a substrate. By optimizing temperatures for the growth of both SnTe and CdTe layers, we could obtain SnTe layers of the single phase grown only in the (111) orientation and of much improved surface morphology from the viewpoint of the extension and the flatness of flat regions, compared to the layers grown on BaF$_2$. In this optimal growth condition, we have also achieved a low hole density of the order of 10$^{17}$cm$^{-3}$ at 4K, the lowest value ever reported for SnTe thin films without additional doping. In the magnetoresistance measurement on this optimized SnTe layer, we observe characteristic negative magneto-conductance which is attributed to the weak antilocalization effect of the two-dimensional transport in the topological surface state.
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