Setescak, Christoph S. and Aguilera, Irene and Weindl, Adrian and Kronseder, Matthias and Donarini, Andrea and Giessibl, Franz J. (2025) Probing the electronic structure at the boundary of topological insulators in the Bi2Se3 family by combined scanning tunneling and atomic force microscopy. PHYSICAL REVIEW B, 111 (16): 165305. ISSN 2469-9950, 2469-9969
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We develop a numerical scheme for the calculation of tunneling current I and differential conductance dI/dV of metal-and CO-terminated STM tips on the topological insulators Bi2Se3, Bi2Te2Se as well as Bi2Te3, and find excellent agreement with experiment. The calculation is an application of Chen's derivative rule, whereby the Bloch functions are obtained from Wannier-interpolated tight-binding Hamiltonians and maximally localized Wannier functions from first-principle DFT+GW calculations. We observe signatures of the topological boundary modes, their hybridization with bulk bands, Van Hove singularities of the bulk bands, and characterize the orbital character of these electronic modes using the high spatial resolution of STM and AFM. Bare DFT calculations are insufficient to explain the experimental data, which are instead accurately reproduced by many-body-corrected GW calculations.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | DEFECTS; SPECTROSCOPY; SURFACE; PHOTOEMISSION; STATES; POINT; |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics > Chair Professor Grifoni > Group Milena Grifoni Physics > Institute of Experimental and Applied Physics > Chair Professor Giessibl > Group Franz J. Giessibl |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 23 Jun 2026 09:46 |
| Last Modified: | 23 Jun 2026 09:46 |
| URI: | https://pred.uni-regensburg.de/id/eprint/66478 |
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