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Experimental Determination of a Single Atom Ground State Orbital through Hyperfine Anisotropy

[Image: see text] Historically, electron spin resonance (ESR) has provided excellent insight into the electronic, magnetic, and chemical structure of samples hosting spin centers. In particular, the hyperfine interaction between the electron and the nuclear spins yields valuable structural informati...

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Autores principales: Farinacci, Laëtitia, Veldman, Lukas M., Willke, Philip, Otte, Sander
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9650725/
https://www.ncbi.nlm.nih.gov/pubmed/36305860
http://dx.doi.org/10.1021/acs.nanolett.2c02783
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author Farinacci, Laëtitia
Veldman, Lukas M.
Willke, Philip
Otte, Sander
author_facet Farinacci, Laëtitia
Veldman, Lukas M.
Willke, Philip
Otte, Sander
author_sort Farinacci, Laëtitia
collection PubMed
description [Image: see text] Historically, electron spin resonance (ESR) has provided excellent insight into the electronic, magnetic, and chemical structure of samples hosting spin centers. In particular, the hyperfine interaction between the electron and the nuclear spins yields valuable structural information about these centers. In recent years, the combination of ESR and scanning tunneling microscopy (ESR-STM) has allowed to acquire such information about individual spin centers of magnetic atoms bound atop a surface, while additionally providing spatial information about the binding site. Here, we conduct a full angle-dependent investigation of the hyperfine splitting for individual hydrogenated titanium atoms on MgO/Ag(001) by measurements in a vector magnetic field. We observe strong anisotropy in both the g factor and the hyperfine tensor. Combining the results of the hyperfine splitting with the symmetry properties of the binding site obtained from STM images and a basic point charge model allows us to predict the shape of the electronic ground state configuration of the titanium atom. Relying on experimental values only, this method paves the way for a new protocol for electronic structure analysis for spin centers on surfaces.
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spelling pubmed-96507252022-11-15 Experimental Determination of a Single Atom Ground State Orbital through Hyperfine Anisotropy Farinacci, Laëtitia Veldman, Lukas M. Willke, Philip Otte, Sander Nano Lett [Image: see text] Historically, electron spin resonance (ESR) has provided excellent insight into the electronic, magnetic, and chemical structure of samples hosting spin centers. In particular, the hyperfine interaction between the electron and the nuclear spins yields valuable structural information about these centers. In recent years, the combination of ESR and scanning tunneling microscopy (ESR-STM) has allowed to acquire such information about individual spin centers of magnetic atoms bound atop a surface, while additionally providing spatial information about the binding site. Here, we conduct a full angle-dependent investigation of the hyperfine splitting for individual hydrogenated titanium atoms on MgO/Ag(001) by measurements in a vector magnetic field. We observe strong anisotropy in both the g factor and the hyperfine tensor. Combining the results of the hyperfine splitting with the symmetry properties of the binding site obtained from STM images and a basic point charge model allows us to predict the shape of the electronic ground state configuration of the titanium atom. Relying on experimental values only, this method paves the way for a new protocol for electronic structure analysis for spin centers on surfaces. American Chemical Society 2022-10-28 2022-11-09 /pmc/articles/PMC9650725/ /pubmed/36305860 http://dx.doi.org/10.1021/acs.nanolett.2c02783 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Farinacci, Laëtitia
Veldman, Lukas M.
Willke, Philip
Otte, Sander
Experimental Determination of a Single Atom Ground State Orbital through Hyperfine Anisotropy
title Experimental Determination of a Single Atom Ground State Orbital through Hyperfine Anisotropy
title_full Experimental Determination of a Single Atom Ground State Orbital through Hyperfine Anisotropy
title_fullStr Experimental Determination of a Single Atom Ground State Orbital through Hyperfine Anisotropy
title_full_unstemmed Experimental Determination of a Single Atom Ground State Orbital through Hyperfine Anisotropy
title_short Experimental Determination of a Single Atom Ground State Orbital through Hyperfine Anisotropy
title_sort experimental determination of a single atom ground state orbital through hyperfine anisotropy
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9650725/
https://www.ncbi.nlm.nih.gov/pubmed/36305860
http://dx.doi.org/10.1021/acs.nanolett.2c02783
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