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Tailoring the magnetic ordering of the Cr4O5/Fe(001) surface via a controlled adsorption of C60 organic molecules
- Source :
- Physical Chemistry Chemical Physics. 23:7948-7954
- Publication Year :
- 2021
- Publisher :
- Royal Society of Chemistry (RSC), 2021.
-
Abstract
- We analyse the spinterface formed by a C60 molecular layer on a Fe(001) surface covered by a two-dimensional Cr4O5 layer. We consider different geometries, by combining the high symmetry adsorption sites of the surface with three possible orientations of the molecules in a fully relaxed Density Functional Theory calculation. We show that the local hybridization between the electronic states of the Cr4O5 layer and those of the organic molecules is able to modify the magnetic coupling of the Cr atoms. Both the intra-layer and the inter-layer magnetic interaction is indeed driven by O atoms of the two-dimensional oxide. We demonstrate that the C60 adsorption on the energetically most stable site turns the ferromagnetic intra-layer coupling into an antiferromagnetic one, and that antiferromagnetic to ferromagnetic switching and spin patterning of the substrate could be possible by adsorption on other sites.
- Subjects :
- Materials science
General Physics and Astronomy
02 engineering and technology
Substrate (electronics)
021001 nanoscience & nanotechnology
01 natural sciences
Inductive coupling
Condensed Matter::Materials Science
Adsorption
Ferromagnetism
Chemical physics
0103 physical sciences
Physics::Atomic and Molecular Clusters
Antiferromagnetism
Molecule
Density functional theory
Physical and Theoretical Chemistry
010306 general physics
0210 nano-technology
Layer (electronics)
Subjects
Details
- ISSN :
- 14639084 and 14639076
- Volume :
- 23
- Database :
- OpenAIRE
- Journal :
- Physical Chemistry Chemical Physics
- Accession number :
- edsair.doi...........e1c6a839993f3b49dcd377c6f216938f