Journal article
Microscopic scattering approach to in-gap states: Cr adatoms on superconducting β − Bi 2 Pd
Physical review. B, Vol.112(24), 245429
12/2025
DOI: 10.1103/75p3-2x2h
Abstract
We develop a microscopic scattering formalism to describe Yu-Shiba-Rusinov (YSR) states due to a single Cr adatom on the Bi-terminated surface of β − Bi 2 Pd , by combining Wannier functions with a real-space Green's function approach in the Bogoliubov–de Gennes formalism. Our framework reproduces key scanning tunneling spectroscopy features, including a single particle-hole asymmetric YSR peak and isotropic d I / d V maps around the impurity. Decomposing the YSR states reveals contributions from four nearly degenerate C 4 v representations, with energy broadening masking their individual signatures. Spin-orbit coupling induces partial spin polarization, while the spatial asymmetry between particle and hole components arises from Cr d − Bi p hybridization. These results highlight the importance of realistic band structures and microscopic modeling for interpreting STM data and provide a foundation for studying impurity chains hosting topological excitations.
Details
- Title: Subtitle
- Microscopic scattering approach to in-gap states: Cr adatoms on superconducting β − Bi 2 Pd
- Creators
- Joseph Sink - University of IowaHari Paudyal - University of IowaDivya Jyoti - Donostia International Physics CenterAndreas J. Heinrich - Institute for Basic ScienceDeung-Jang Choi - Donostia International Physics CenterNicolás Lorente - Donostia International Physics CenterMichael E. Flatté - University of Iowa
- Resource Type
- Journal article
- Publication Details
- Physical review. B, Vol.112(24), 245429
- DOI
- 10.1103/75p3-2x2h
- ISSN
- 2469-9950
- eISSN
- 2469-9969
- Publisher
- APS
- Grant note
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences: DE-SC0016379 Spanish Science Ministry Program: PID2021-127917NB-I00 Gipuzkoa Provincial Council: QUAN-000021-01 Basque Government: IT-1527-22, PIBA_2024_1_0008 Institute for Basic Science: IBS-R027-D1
This material is based on work primarily supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Award No. DE-SC0016379 (Theory) . For experimental results we acknowledge Projects No. PID2021-127917NB-I00 by the Spanish Science Ministry Program, No. MCIN/AEI/10.13039/501100011033, No. QUAN-000021-01 by Gipuzkoa Provincial Council, IT-1527-22, No. PIBA_2024_1_0008 by the Basque Government, and the support of the Institute for Basic Science (IBS-R027-D1) .
- Language
- English
- Date published
- 12/2025
- Academic Unit
- Electrical and Computer Engineering; Physics and Astronomy
- Record Identifier
- 9985116066902771
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