Trends in the hyperfine interactions of magnetic adatoms on thin insulating layers

Abstract Nuclear spins are among the potential candidates prospected for quantum information technology. A recent breakthrough enabled to atomically resolve their interaction with the electron spin, the so-called hyperfine interaction, within individual atoms utilizing scanning tunneling microscopy...

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Autores principales:	Sufyan Shehada, Manuel dos Santos Dias, Filipe Souza Mendes Guimarães, Muayad Abusaa, Samir Lounis
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
Acceso en línea:	https://doaj.org/article/69abc767c7eb4b2e89451a62de513712
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spelling	oai:doaj.org-article:69abc767c7eb4b2e89451a62de5137122021-12-02T17:52:21ZTrends in the hyperfine interactions of magnetic adatoms on thin insulating layers10.1038/s41524-021-00556-y2057-3960https://doaj.org/article/69abc767c7eb4b2e89451a62de5137122021-06-01T00:00:00Zhttps://doi.org/10.1038/s41524-021-00556-yhttps://doaj.org/toc/2057-3960Abstract Nuclear spins are among the potential candidates prospected for quantum information technology. A recent breakthrough enabled to atomically resolve their interaction with the electron spin, the so-called hyperfine interaction, within individual atoms utilizing scanning tunneling microscopy (STM). Intriguingly, this was only realized for a few species put on a two-layers thick MgO. Here, we systematically quantify from first-principles the hyperfine interactions of the whole series of 3d transition adatoms deposited on various thicknesses of MgO, NaF, NaCl, h–BN, and Cu2N films. We identify the adatom-substrate complexes with the largest hyperfine interactions and unveil the main trends and exceptions. We reveal the core mechanisms at play, such as the interplay of the local bonding geometry and the chemical nature of the thin films, which trigger transitions between high- and low-spin states accompanied with subtle internal rearrangements of the magnetic electrons. By providing a general map of hyperfine interactions, our work has immediate implications in future STM investigations aiming at detecting and realizing quantum concepts hinging on nuclear spins.Sufyan ShehadaManuel dos Santos DiasFilipe Souza Mendes GuimarãesMuayad AbusaaSamir LounisNature PortfolioarticleMaterials of engineering and construction. Mechanics of materialsTA401-492Computer softwareQA76.75-76.765ENnpj Computational Materials, Vol 7, Iss 1, Pp 1-10 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
spellingShingle	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765 Sufyan Shehada Manuel dos Santos Dias Filipe Souza Mendes Guimarães Muayad Abusaa Samir Lounis Trends in the hyperfine interactions of magnetic adatoms on thin insulating layers
description	Abstract Nuclear spins are among the potential candidates prospected for quantum information technology. A recent breakthrough enabled to atomically resolve their interaction with the electron spin, the so-called hyperfine interaction, within individual atoms utilizing scanning tunneling microscopy (STM). Intriguingly, this was only realized for a few species put on a two-layers thick MgO. Here, we systematically quantify from first-principles the hyperfine interactions of the whole series of 3d transition adatoms deposited on various thicknesses of MgO, NaF, NaCl, h–BN, and Cu2N films. We identify the adatom-substrate complexes with the largest hyperfine interactions and unveil the main trends and exceptions. We reveal the core mechanisms at play, such as the interplay of the local bonding geometry and the chemical nature of the thin films, which trigger transitions between high- and low-spin states accompanied with subtle internal rearrangements of the magnetic electrons. By providing a general map of hyperfine interactions, our work has immediate implications in future STM investigations aiming at detecting and realizing quantum concepts hinging on nuclear spins.
format	article
author	Sufyan Shehada Manuel dos Santos Dias Filipe Souza Mendes Guimarães Muayad Abusaa Samir Lounis
author_facet	Sufyan Shehada Manuel dos Santos Dias Filipe Souza Mendes Guimarães Muayad Abusaa Samir Lounis
author_sort	Sufyan Shehada
title	Trends in the hyperfine interactions of magnetic adatoms on thin insulating layers
title_short	Trends in the hyperfine interactions of magnetic adatoms on thin insulating layers
title_full	Trends in the hyperfine interactions of magnetic adatoms on thin insulating layers
title_fullStr	Trends in the hyperfine interactions of magnetic adatoms on thin insulating layers
title_full_unstemmed	Trends in the hyperfine interactions of magnetic adatoms on thin insulating layers
title_sort	trends in the hyperfine interactions of magnetic adatoms on thin insulating layers
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/69abc767c7eb4b2e89451a62de513712
work_keys_str_mv	AT sufyanshehada trendsinthehyperfineinteractionsofmagneticadatomsonthininsulatinglayers AT manueldossantosdias trendsinthehyperfineinteractionsofmagneticadatomsonthininsulatinglayers AT filipesouzamendesguimaraes trendsinthehyperfineinteractionsofmagneticadatomsonthininsulatinglayers AT muayadabusaa trendsinthehyperfineinteractionsofmagneticadatomsonthininsulatinglayers AT samirlounis trendsinthehyperfineinteractionsofmagneticadatomsonthininsulatinglayers
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Trends in the hyperfine interactions of magnetic adatoms on thin insulating layers

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