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Induced spin polarization in graphene via interactions with halogen doped MoS2 and MoSe2 monolayers by DFT calculations
- Source :
- Nanoscale. 12:23248-23258
- Publication Year :
- 2020
- Publisher :
- Royal Society of Chemistry (RSC), 2020.
-
Abstract
- Magnetic halogen doped MoX2 (X = S and Se) monolayers influenced the electronic structure of graphene through a proximity effect. This process was observed using state-of-the-art calculations. It was found that the substitution of a single chalcogen atom with a halogen atom (F, Cl, Br, and I) results in n-type doping of MoX2. An additional electron from the dopant is localized on binding orbitals with the nearest Mo atoms and leads to the formation of magnetism in the dichalcogenide layer. Detailed analysis of halogen doped MoX2/graphene heterostructures demonstrated the induction of spin polarization in graphene near the Fermi energy. Significant spin polarization near the Fermi energy and n-type doping were observed in the graphene layer of MoSe2/graphene heterostructures with MoSe2 doped with iodine. At the same time, fluorine-doped MoSe2 does not cause n-doping in graphene, while spin polarization still takes place. The possibility for the detection of the arrangement of the halogen impurities at the MoX2 basal plane even with the graphene layer deposited on top was demonstrated through STM measurements which will be undoubtedly useful for the fabrication of electronic schemes and elements based on the proposed heterostructures for their further application in nanoelectronics and spintronics.
- Subjects :
- Materials science
Condensed matter physics
Spin polarization
Spintronics
Dopant
Graphene
Doping
Fermi energy
02 engineering and technology
Electronic structure
021001 nanoscience & nanotechnology
01 natural sciences
law.invention
Condensed Matter::Materials Science
law
Condensed Matter::Superconductivity
0103 physical sciences
Monolayer
Physics::Atomic and Molecular Clusters
Condensed Matter::Strongly Correlated Electrons
General Materials Science
010306 general physics
0210 nano-technology
Subjects
Details
- ISSN :
- 20403372 and 20403364
- Volume :
- 12
- Database :
- OpenAIRE
- Journal :
- Nanoscale
- Accession number :
- edsair.doi...........841960c2d0d9d7ae03f3954c0e3f096a