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Setescak, Christoph Stephen ; Aguilera, Irene ; Weindl, Adrian ; Kronseder, Matthias ; Donarini, Andrea ; Giessibl, Franz J.

Probing the electronic structure at the boundary of topological insulators in the Bi2⁢Se3 family by combined scanning tunneling and atomic force microscopy

Setescak, Christoph Stephen , Aguilera, Irene, Weindl, Adrian , Kronseder, Matthias , Donarini, Andrea und Giessibl, Franz J. (2025) Probing the electronic structure at the boundary of topological insulators in the Bi2⁢Se3 family by combined scanning tunneling and atomic force microscopy. Physical Review B 111, S. 165305.

Veröffentlichungsdatum dieses Volltextes: 06 Mai 2025 07:03
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.76642


Zusammenfassung

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 ...

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 theses 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.



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Details

DokumentenartArtikel
Titel eines Journals oder einer ZeitschriftPhysical Review B
Verlag:American Physical Society (APS)
Band:111
Seitenbereich:S. 165305
Datum28 April 2025
InstitutionenPhysik > Institut für Theoretische Physik > Lehrstuhl Professor Grifoni > Arbeitsgruppe Milena Grifoni
Physik > Institut für Experimentelle und Angewandte Physik > Lehrstuhl Professor Giessibl > Arbeitsgruppe Franz J. Giessibl
Projekte
Gefördert von: Deutsche Forschungsgemeinschaft (DFG) (314695032)
Identifikationsnummer
WertTyp
10.1103/PhysRevB.111.165305DOI
Stichwörter / KeywordsBand gap, Local density of states, Surface states, Topological materials, van Hove singularity, Atomic force microscopy, Density functional theory, GW method, Noncontact atomic force microscopy, Scanning tunneling microscopy, Scanning tunneling spectroscopy, Tight-binding model, Wannier function methods
Dewey-Dezimal-Klassifikation500 Naturwissenschaften und Mathematik > 530 Physik
StatusVeröffentlicht
BegutachtetJa, diese Version wurde begutachtet
An der Universität Regensburg entstandenJa
URN der UB Regensburgurn:nbn:de:bvb:355-epub-766424
Dokumenten-ID76642

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