Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/102411
Title: Atomic, electronic and magnetic structure of graphene/iron and nickel interfaces: Theory and experiment
Authors: Boukhvalov, D. W.
Gornostyrev, Y. N.
Uimin, M. A.
Korolev, A. V.
Yermakov, A. Y.
Issue Date: 2015
Publisher: Royal Society of Chemistry
Citation: Atomic, electronic and magnetic structure of graphene/iron and nickel interfaces: Theory and experiment / D. W. Boukhvalov, Y. N. Gornostyrev, M. A. Uimin, et al. — DOI 10.1039/c4ra14165b // RSC Advances. — 2015. — Vol. 5. — Iss. 12. — P. 9173-9179.
Abstract: First-principles calculations of the effect of carbon coverage on the atomic, electronic and magnetic structure of nickel and iron substrates demonstrate insignificant changes in the interatomic distances and magnetic moments on the atoms of the metallic substrates. The coverage of the iron surface by mono- and few-layer graphene induces significant changes in the orbital occupancies and exchange interactions between the layers in contrast to the case of a nickel substrate for which changes in the orbital ordering and exchange interactions are much smaller. Experimental measurements demonstrate the presence of ferromagnetic fcc-iron in Fe@C nanoparticles and the superparamagnetic behavior of Ni@C nanoparticles. © The Royal Society of Chemistry 2015.
Keywords: ATOMS
CALCULATIONS
EXCHANGE INTERACTIONS
IRON
MAGNETIC MOMENTS
MAGNETIC STRUCTURE
NANOPARTICLES
NICKEL
SUBSTRATES
EFFECT OF CARBONS
FEW-LAYER GRAPHENE
FIRST-PRINCIPLES CALCULATION
INTER-ATOMIC DISTANCES
METALLIC SUBSTRATE
NICKEL SUBSTRATES
ORBITAL OCCUPANCY
SUPERPARAMAGNETIC BEHAVIOR
GRAPHENE
URI: http://hdl.handle.net/10995/102411
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 84921284152
PURE ID: 380592
57ec1e58-08a1-4330-a398-0912e16a3138
ISSN: 20462069
DOI: 10.1039/c4ra14165b
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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