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  Doping-dependent charge- and spin-density wave orderings in a monolayer of Pb adatoms on Si(111)

Vandelli, M., Galler, A., Rubio, A., Lichtenstein, A. I., Biermann, S., & Stepanov, E. A. (2024). Doping-dependent charge- and spin-density wave orderings in a monolayer of Pb adatoms on Si(111). npj Quantum Materials, 9: 19. doi:10.1038/s41535-024-00630-w.

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Item Permalink: https://hdl.handle.net/21.11116/0000-000C-6E8C-C Version Permalink: https://hdl.handle.net/21.11116/0000-000E-6F09-D
Genre: Journal Article

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Supplemental material: optimized structures obtained for V3 x V3 and 3 × 3 phases via first-principle calculations
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https://arxiv.org/abs/2301.07162 (Preprint)
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 Creators:
Vandelli, M.1, 2, 3, 4, Author           
Galler, A.3, 4, Author           
Rubio, A.3, 4, 5, 6, Author           
Lichtenstein, A. I.1, 2, Author
Biermann, S.7, 8, 9, 10, Author
Stepanov, E. A.7, 8, Author
Affiliations:
1Institut für Theoretische Physik, Universität Hamburg, ou_persistent22              
2The Hamburg Centre for Ultrafast Imaging, ou_persistent22              
3Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
4Center for Free-Electron Laser Science, ou_persistent22              
5Center for Computational Quantum Physics, Flatiron Institute, ou_persistent22              
6Nano-Bio Spectroscopy Group and ETSF, Universidad del País Vasco, ou_persistent22              
7CPHT, CNRS, École polytechnique, Institut Polytechnique de Paris, ou_persistent22              
8Collège de France, ou_persistent22              
9Department of Physics, Division of Mathematical Physics, Lund University, ou_persistent22              
10European Theoretical Spectroscopy Facility, ou_persistent22              

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 Abstract: In this work we computed the phase diagram as a function of temperature and doping for a system of lead adatoms allocated periodically on a silicon (111) surface. This Si(111):Pb material is characterized by a strong and long-ranged Coulomb interaction, a relatively large value of the spin-orbit coupling, and a structural phase transition that occurs at low temperature. In order to describe the collective electronic behavior in the system, we perform many-body calculations consistently taking all these important features into account. We find that charge- and spin-density wave orderings coexist with each other in several regions of the phase diagram. This result is in agreement with the recent experimental observation of a chiral spin texture in the charge density wave phase in this material. We also find that the geometries of the charge and spin textures strongly depend on the doping level. The formation of such a rich phase diagram in the Si(111):Pb material can be explained by a combined effect of the lattice distortion and electronic correlations.

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Language(s): eng - English
 Dates: 2023-02-152024-01-312024-02-15
 Publication Status: Published online
 Pages: -
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: arXiv: 2301.07162
DOI: 10.1038/s41535-024-00630-w
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Project name : -
Grant ID : 839551
Funding program : Horizon 2020 (H2020)
Funding organization : European Commission (EC)
Project name : M.V., A.R., and A.I.L. acknowledge the support by the Cluster of Excellence “Advanced Imaging of Matter” of the Deutsche Forschungsgemeinschaft (DFG) - EXC 2056 - Project No. ID390715994 and -SFB-925 - Project No. 170620586. M.V., E.A.S., and A.I.L. also acknowledge the support by the North-German Supercomputing Alliance (HLRN) under Project No. hhp00042. A.R. acknowledges support from the European Research Council (ERC-2015-AdG-694097), Grupos Consolidados (IT1249-19), and the Flatiron Institute, a division of the Simons Foundation. S.B. acknowledges the support from IDRIS/GENCI Orsay under project number A0130901393. The work of E.A.S. was supported by the European Union’s Horizon 2020 Research and Innovation program under the Marie Skłodowska Curie grant agreement No. 839551 - 2DMAGICS.
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Title: npj Quantum Materials
  Other : npj Quantum Mater.
Source Genre: Journal
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Publ. Info: [London] : Nature Publishing Group
Pages: - Volume / Issue: 9 Sequence Number: 19 Start / End Page: - Identifier: ISSN: 2397-4648
CoNE: https://pure.mpg.de/cone/journals/resource/2397-4648