Science Advances

Supplementary Materials

This PDF file includes:

  • note S1. Orbital hybridization.
  • note S2. Dimer splitting of the Sb 5s states.
  • note S3. Band bending and Fermi-level pinning by surface states.
  • table. S1. Summary of benchmarks for the electron counting model, focusing on the Sb dimer (2 × 1) and c(2 × 4) reconstructions of CoTiSb (001).
  • fig. S1. RHEED, LEED, and raw XPS spectra.
  • fig. S2. Bulk bonding and band character for CoTiSb.
  • fig. S3. Comparison between experiment (valence band photoemission) and two levels of DFT: the GGA and a hybrid functional Heyd-Scuseria-Ernzerhof.
  • fig. S4. STM, line cuts, and raw I-V spectra.
  • fig. S5. DFT phase diagram and relaxed Ti configurations.
  • fig. S6. Out-of-plane kzdispersions for c(2 × 4)-terminated CoTiSb (001) for photon energies from 14 to 180 eV.
  • fig. S7. Low-energy ARPES measurements of surface states, with increased surface sensitivity.
  • fig. S8. Application of electron counting to screen possible (2 × 1) structures.

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