Home > Publications database > Ab $\textit{initio}$ investigations of magnetic properties of ultrathin transition-metal films on $\textit{4d}$ substrates > print

001     21598
005     20210211083444.0
020 _ _ |a 978-3-89336-641-5
024 7 _ |2 ISSN
|a 1866-1807
024 7 _ |2 Handle
|a 2128/3773
037 _ _ |a PreJuSER-21598
041 _ _ |a English
082 _ _ |a 500
082 _ _ |a 600
100 1 _ |0 P:(DE-Juel1)130498
|a Al-Zubi, Ali
|b 0
|e corresponding author
|g male
|u FZJ
245 _ _ |a Ab $\textit{initio}$ investigations of magnetic properties of ultrathin transition-metal films on $\textit{4d}$ substrates
260 _ _ |a Jülich
|b Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag
|c 2010
300 _ _ |a II, 143 S.
336 7 _ |0 PUB:(DE-HGF)11
|2 PUB:(DE-HGF)
|a Dissertation / PhD Thesis
336 7 _ |0 PUB:(DE-HGF)3
|2 PUB:(DE-HGF)
|a Book
336 7 _ |0 2
|2 EndNote
|a Thesis
336 7 _ |2 DRIVER
|a doctoralThesis
336 7 _ |2 BibTeX
|a PHDTHESIS
336 7 _ |2 DataCite
|a Output Types/Dissertation
336 7 _ |2 ORCID
|a DISSERTATION
490 0 _ |0 PERI:(DE-600)2445293-2
|a Schriften des Forschungszentrums Jülich. Schlüsseltechnologien / Key Technologies
|v 16
500 _ _ |a Record converted from JUWEL: 18.07.2013
500 _ _ |a Record converted from VDB: 12.11.2012
502 _ _ |a RWTH Aachen, Diss., 2010
|b Dr. (Univ.)
|c RWTH Aachen
|d 2010
520 _ _ |a In this thesis, we investigate the magnetic properties of 3$\textit{d}$ transition-metal monolayers on 4$\textit{d}$ transition-metal substrates by means of state of the art first-principles quantum theory. In contrast to previous investigations on noble metal substrates, the strong hybridization between 3$\textit{d}$ metals and the substrate is an additional parameter determining the properties. In order to reveal the underlying physics of these systems we study trends by performing systematic investigations across the transition-metal series. Case studies are presented for which Rh has been chosen as exemplary 4$\textit{d}$ substrate. We consider two substrate orientations, a square lattice provided by Rh(001) and a hexagonal lattice provided by Rh(111). We find, all 3$\textit{d}$ transition-metal (V, Cr, Mn, Fe, Co and Ni) monolayers deposited on the Rh substrate are magnetic and exhibit large local moments which follow Hund’s rule with a maximum magnetic moment for Mn of about 3.7 μ$_{B}$ depending on the substrate orientation. The largest induced magnetic moment of about 0.46 μ$_{B}$ is found for Rh atoms adjacent to the Co(001)-film. On Rh(001) we predict a ferromagnetic (FM) ground state for V, Co and Ni, while Cr, Mn and Fe monolayers favor a c(2 × 2) antiferromagnetic (AFM) state, a checkerboard arrangement of up and down magnetic moments. The magnetic anisotropy energies of these ultrathin magnetic films are calculated for the FM and the AFM states. With the exception of V and Cr, the easy axis of the magnetization is predicted to be in the film plane. With the exception of Fe, analogous results are obtained for the 3$\textit{d}$-metal monolayers on Rh(111). For Fe on Rh(111) a novel magnetic ground state is predicted, a doublerow- wise antiferromagnetic state along the [112] direction, a sequence of ferromagnetic double-rows of atoms, whose magnetic moments couple antiferromagetically from double row to double row. The magnetic structure can be understood as superposition of a left- and right-rotating flat spin spiral. In a second set of case studies the properties of an Fe monolayer deposited on varies hexagonally terminated hcp (0001) and fcc (111) surfaces of 4$\textit{d}$-transition metals (Tc, Ru, Rh, to Pd) are presented. The magnetic state of Fe changes gradually from noncollinear 120$^{◦}$ Néel state for Fe films on Tc, and Ru, to the double-row-wise antiferromagnetic state on Rh, to the ferromagnetic one on Pd and Ag. The noncollinear state is a result of antiferromagnetic intersite exchange interactions in combination with the triangular lattice provided by the hexagonal surface termination of the (111) surfaces. A similar systematic trend is observed for a Co monolayer on these substrate, but shifted towards ferromagnetism equivalent to one element in the periodic table. [...]
536 _ _ |0 G:(DE-Juel1)FUEK412
|2 G:(DE-HGF)
|a Grundlagen für zukünftige Informationstechnologien
|c P42
|x 0
655 _ 7 |a Hochschulschrift
|x Dissertation (Univ.)
856 4 _ |u https://juser.fz-juelich.de/record/21598/files/Schluesseltech_16.pdf
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/21598/files/Schluesseltech_16.jpg?subformat=icon-1440
|x icon-1440
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/21598/files/Schluesseltech_16.jpg?subformat=icon-180
|x icon-180
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/21598/files/Schluesseltech_16.jpg?subformat=icon-640
|x icon-640
|y OpenAccess
909 C O |o oai:juser.fz-juelich.de:21598
|p openaire
|p open_access
|p driver
|p VDB
|p dnbdelivery
913 1 _ |0 G:(DE-Juel1)FUEK412
|b Schlüsseltechnologien
|k P42
|l Grundlagen für zukünftige Informationstechnologien (FIT)
|v Grundlagen für zukünftige Informationstechnologien
|x 0
914 1 _ |y 2010
915 _ _ |0 StatID:(DE-HGF)0510
|2 StatID
|a OpenAccess
920 _ _ |l yes
920 1 _ |0 I:(DE-Juel1)PGI-1-20110106
|g PGI
|k PGI-1
|l Quanten-Theorie der Materialien
|x 0
920 1 _ |0 I:(DE-Juel1)IAS-1-20090406
|g IAS
|k IAS-1
|l Quanten-Theorie der Materialien
|x 1
|z IFF-1
970 _ _ |a VDB:(DE-Juel1)137625
980 _ _ |a VDB
980 _ _ |a ConvertedRecord
980 _ _ |a phd
980 _ _ |a I:(DE-Juel1)PGI-1-20110106
980 _ _ |a I:(DE-Juel1)IAS-1-20090406
980 _ _ |a UNRESTRICTED
980 _ _ |a JUWEL
980 _ _ |a FullTexts
980 1 _ |a FullTexts
981 _ _ |a I:(DE-Juel1)IAS-1-20090406

LibraryCollectionCLSMajorCLSMinorLanguageAuthor
Marc 21