Journal Article

FZJ-2020-01115

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Spin, atomic, and interatomic orbital magnetism induced by 3 d nanostructures deposited on transition metal surfaces

Brinker, S. (Corresponding author)FZJ* ; dos Santos Dias, M.FZJ* ; Lounis, S.FZJ*

2020
APS College Park, MD

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Please use a persistent id in citations: http://hdl.handle.net/2128/24345  doi:10.1103/PhysRevMaterials.4.024404

Abstract: We present a first-principles study of the surface magnetism induced by Cr, Mn, Fe, and Co adatoms on the (111) surfaces of Rh, Pd, Ag, Ir, Pt, and Au. We first describe how the different contributions to the surface magnetism enter the magnetic stray field, with special attention paid to the induced orbital moments. Then we present results for the spin and orbital magnetic moments of the adatoms, and for the induced surface spin and orbital magnetic moments, the latter being further divided into atomic and interatomic contributions. We investigate how the surface magnetism is determined by the chemical nature of the elements involved, such as the filling of the magnetic d-orbitals of the adatoms and the properties of the itinerant electrons at the surface (whether they are sp- or d-like, and whether the spin-orbit interaction is relevant), and how it is modified if the magnetic adatoms are brought together to form a cluster, with Cr, Mn, Fe, and Co trimers on Pt(111) as an example. We also explore the impact of computational approximations, such as the distance between the adatom and the Pt(111) surface, or confinement effects due to the finite thickness of the slab used to model it. Our discussion of the magnetic stray field generated by a single adatom and its environment suggests a possible way of disentangling the induced surface magnetism from the adatom one, which could be feasible with scanning nitrogen-vacancy-center microscopy.

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IAS-1)
2. Quanten-Theorie der Materialien (PGI-1)
3. JARA-FIT (JARA-FIT)
4. JARA - HPC (JARA-HPC)

Research Program(s):

1. 142 - Controlling Spin-Based Phenomena (POF3-142) (POF3-142)
2. First-principles investigation of long range effects in magnetic nanostructures (jias1c_20171101) (jias1c_20171101)

Appears in the scientific report 2020

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Database coverage:
; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; IF < 5 ; JCR ; Science Citation Index Expanded ; Web of Science Core Collection

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