Home > Publications database > Ab initio investigation of hybrid molecular-metallic interfaces as a tool to design surface magnetic properties for molecular spintronics > print

001     826746
005     20210318094456.0
020 _ _ |a 978-3-95806-194-1
024 7 _ |2 Handle
|a 2128/13660
024 7 _ |2 ISSN
|a 1866-1807
037 _ _ |a FZJ-2017-00964
041 _ _ |a English
100 1 _ |0 P:(DE-Juel1)157874
|a Friedrich, Rico
|b 0
|e Corresponding author
|g male
|u fzj
245 _ _ |a Ab initio investigation of hybrid molecular-metallic interfaces as a tool to design surface magnetic properties for molecular spintronics
|f - 2016-06-29
260 _ _ |a Jülich
|b Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag
|c 2016
300 _ _ |a 277 S.
336 7 _ |2 DataCite
|a Output Types/Dissertation
336 7 _ |0 PUB:(DE-HGF)3
|2 PUB:(DE-HGF)
|a Book
|m book
336 7 _ |2 ORCID
|a DISSERTATION
336 7 _ |2 BibTeX
|a PHDTHESIS
336 7 _ |0 2
|2 EndNote
|a Thesis
336 7 _ |0 PUB:(DE-HGF)11
|2 PUB:(DE-HGF)
|a Dissertation / PhD Thesis
|b phd
|m phd
|s 1485509276_4644
336 7 _ |2 DRIVER
|a doctoralThesis
490 0 _ |a Schriften des Forschungszentrums Jülich. Reihe Schlüsseltechnologien / Key Technologies
|v 138
502 _ _ |a RWTH Aachen, Diss., 2016
|b Dr.
|c RWTH Aachen
|d 2016
520 _ _ |a Molecular spintronics aims to store and transmit information encoded in the electron spin using single molecular based magnetic units. In this thesis the magnetic properties of hybrid molecular-metallic interfaces are investigated by $\textit{ab initio}$ density functional theory, the most successful electronic structure method over the last decades. Most of the research in molecular spintronics has been devoted to the magnetic properties of the molecular part of the investigated systems. Here a complementary approach is proposed in which hybrid molecular-metallic interfaces are used as a tool to design surface magnetic properties. Firstly, two effects: (i) in-plane magnetic hardening, i. e. the increase of the exchange coupling between the first layer magnetic surface atoms below the molecule and (ii) inter-layer magnetic softening, i. e. the reduction of the exchange coupling between first and secondmagnetic surface layer locally below the molecule, are investigated in detail: 1. The in-plane magnetic hardening effect is tuned through a chemical functionalization process by investigating a series of $\pi$-bonded molecules adsorbed onto 1 monolayer Fe/W(110) that give rise to specifically tailored magnetic hysteresis curves. 2. The inter-layer magnetic softening effect is generally connected to amolecular induced skyhookmechanism as shown for dioxan and dioxin adsorbed onto 1 and 2 monolayers Fe/W(110): The first layer magnetic atoms belowthe molecule are locally detached from the second layer due to the repulsion of the peripheral hydrogen atoms of themolecule from the surface and the attraction of the central molecular part to the surface. 3. Spatially extended two-dimensional $\pi$-electron systems as graphene and hexagonal boron nitride lead to an in-plane magnetic hardening on Co(111) but do not cause the inter-layer softening revealing that the skyhook mechanism occurs only for finite-size molecular adsorbates. 4. A molecule made up of different rings as triphenyl-triazine can induce multiple intramolecular magnetic units on 2 monolayers Fe/W(110) within a single molecule-surface hybrid system offering prospects for molecular based spin logic devices. In the following it is demonstrated that the concept of molecular induced manipulation of surface magnetic properties can be generalized to surface Rashba systems: [...]
536 _ _ |0 G:(DE-HGF)POF3-142
|a 142 - Controlling Spin-Based Phenomena (POF3-142)
|c POF3-142
|f POF III
|x 0
536 _ _ |0 G:(DE-HGF)POF3-143
|a 143 - Controlling Configuration-Based Phenomena (POF3-143)
|c POF3-143
|f POF III
|x 1
650 _ 7 |x Diss.
856 4 _ |u https://juser.fz-juelich.de/record/826746/files/Schluesseltech_138.pdf
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/826746/files/Schluesseltech_138.gif?subformat=icon
|x icon
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/826746/files/Schluesseltech_138.jpg?subformat=icon-1440
|x icon-1440
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/826746/files/Schluesseltech_138.jpg?subformat=icon-180
|x icon-180
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/826746/files/Schluesseltech_138.jpg?subformat=icon-640
|x icon-640
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/826746/files/Schluesseltech_138.pdf?subformat=pdfa
|x pdfa
|y OpenAccess
909 C O |o oai:juser.fz-juelich.de:826746
|p openaire
|p open_access
|p driver
|p VDB
|p dnbdelivery
910 1 _ |0 I:(DE-588b)5008462-8
|6 P:(DE-Juel1)157874
|a Forschungszentrum Jülich
|b 0
|k FZJ
913 1 _ |0 G:(DE-HGF)POF3-142
|1 G:(DE-HGF)POF3-140
|2 G:(DE-HGF)POF3-100
|3 G:(DE-HGF)POF3
|4 G:(DE-HGF)POF
|a DE-HGF
|b Energie
|l Future Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT)
|v Controlling Spin-Based Phenomena
|x 0
913 1 _ |0 G:(DE-HGF)POF3-143
|1 G:(DE-HGF)POF3-140
|2 G:(DE-HGF)POF3-100
|3 G:(DE-HGF)POF3
|4 G:(DE-HGF)POF
|a DE-HGF
|b Energie
|l Future Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT)
|v Controlling Configuration-Based Phenomena
|x 1
914 1 _ |y 2016
915 _ _ |0 StatID:(DE-HGF)0510
|2 StatID
|a OpenAccess
915 _ _ |0 LIC:(DE-HGF)CCBY4
|2 HGFVOC
|a Creative Commons Attribution CC BY 4.0
920 _ _ |l yes
920 1 _ |0 I:(DE-Juel1)PGI-1-20110106
|k PGI-1
|l Quanten-Theorie der Materialien
|x 0
920 1 _ |0 I:(DE-Juel1)IAS-1-20090406
|k IAS-1
|l Quanten-Theorie der Materialien
|x 1
920 1 _ |0 I:(DE-82)080009_20140620
|k JARA-FIT
|l JARA-FIT
|x 2
920 1 _ |0 I:(DE-82)080012_20140620
|k JARA-HPC
|l JARA - HPC
|x 3
980 _ _ |a phd
980 _ _ |a VDB
980 _ _ |a UNRESTRICTED
980 _ _ |a book
980 _ _ |a I:(DE-Juel1)PGI-1-20110106
980 _ _ |a I:(DE-Juel1)IAS-1-20090406
980 _ _ |a I:(DE-82)080009_20140620
980 _ _ |a I:(DE-82)080012_20140620
980 1 _ |a FullTexts

LibraryCollectionCLSMajorCLSMinorLanguageAuthor
Marc 21