Quasiparticle interference of the Fermi arcs and surface-bulk connectivity of a Weyl semimetal by Hiroyuki Inoue, András Gyenis, Zhijun Wang, Jian Li,

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Quasiparticle interference of the Fermi arcs and surface-bulk connectivity of a Weyl semimetal by Hiroyuki Inoue, András Gyenis, Zhijun Wang, Jian Li, Seong Woo Oh, Shan Jiang, Ni Ni, B. Andrei Bernevig, and Ali Yazdani Science Volume 351(6278):1184-1187 March 11, 2016 Copyright © 2016, American Association for the Advancement of Science

Fig. 1 STM topography and dI/dV spectroscopy of Weyl semimetal TaAs. STM topography and dI/dV spectroscopy of Weyl semimetal TaAs. (A) Illustration of the crystal structure of TaAs with (001) As termination. One unit cell contains four layers of As and Ta. The lattice parameters are a = b = 3.43 Å and c = 11.64 Å. (B) STM topographic image (Vbias = 500 mV, Isetpoint = 100 pA) of the cleaved (001) surface of TaAs. Magnified views on some of the pronounced impurities (right panels) show apparent C2v symmetric deformation of the electronic structure. (C) Spatial variation of the differential conductance measurements along a line of 30 ‎Å, shown as a yellow line in (B), was measured with lock-in techniques employing 3-mV excitations at 707 Hz. The orange curve shows the spatially averaged dI/dV spectra. An atomically periodic modulation of the spectra is visible. (D) Topographic image and (E) conductance map at 120 meV (Vbias = –340 mV, Isetpoint = 80 pA) on the same area, where the C2v symmetric nature of the surface electronic states is clearly visible. Hiroyuki Inoue et al. Science 2016;351:1184-1187 Copyright © 2016, American Association for the Advancement of Science

Fig. 2 Quasiparticle interference of TaAs surface states. Quasiparticle interference of TaAs surface states. (A to D and I to L) Spatially resolved dI/dV conductance maps at different energies obtained on the area shown in Fig. 1B (Vbias = 240 meV, Isetpoint = 120 pA). (E to H and M to P) Symmetrized and drift-corrected Fourier transforms of the dI/dV maps (QPI maps). Red dot indicates the (2π, 2π) point in the reciprocal space in the unit of 1/a; PSD denotes power spectral density. In the color bar, m corresponds to the mean value of the map and σ to the standard deviation. (Q to S) Energy-momentum structure of the dI/dV maps (Vbias = 600 meV, Isetpoint = 80 pA) along the high-symmetry directions shown in (M). Hiroyuki Inoue et al. Science 2016;351:1184-1187 Copyright © 2016, American Association for the Advancement of Science

Fig. 3 Fermi arcs and quasiparticle interference. Fermi arcs and quasiparticle interference. (A) DFT-calculated Fermi arc contour of constant energy in first Brillouin zone (BZ) at +40 meV calculated projecting the DFT-calculated spectral density to the top unit cell. Green dots indicate the projected positions of the Weyl nodes, and arrows show the direction of the spin on the Fermi arcs. The combination of time-reversal symmetry and C2v symmetry implies vanishing out-of-plane component of the spin. FS, Fermi surface. (B) SSP derived from (A) marked by regions of strong scattering in the middle of the BZ, which is missing in the QPI data. (C) The integrated spectral density over the full BZ for As and Ta separately as a function of layer index shows the fast decay of As orbital states. (D) Weighted Fermi surface (WFS) calculated by projecting the electronic states only to the topmost As layer. The Q vectors indicate the scattering wave vectors expected. (E) SSP based on (D) with red boxes showing the scattering wave vectors mapped in (F). (F) QPI map at 40 meV (same as in Fig. 2G) and experimentally observed groups of Q vectors. FT-STS, Fourier transform–scanning tunneling spectroscopy. Hiroyuki Inoue et al. Science 2016;351:1184-1187 Copyright © 2016, American Association for the Advancement of Science

Fig. 4 Comparison of the FT-STS maps with the DFT calculation at various energies. Comparison of the FT-STS maps with the DFT calculation at various energies. (A to C and G to I) QPI maps (same as in Fig. 2) and (D to F and J to L) the corresponding SSP derived from the projection of the spectral density to the topmost As. The obtained data and the calculations are in agreement over a wide energy range. (M to O) Enlargement of the Q9 and Q3 vectors in the calculated JDOS, SSP, and QPI data at different energies. Whereas strong triple-arc structures are visible in JDOS, SSP shows a reduced number of arcs, which is consistent with the single arcs in the QPI data. Hiroyuki Inoue et al. Science 2016;351:1184-1187 Copyright © 2016, American Association for the Advancement of Science