About: Magnetically dead layers at sp-impurity-decorated grain boundaries and surfaces in nickel

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	With the help of ab initio electronic structure calculations, we study segregation of the sp elements (Al, Si, P, S, Ga, Ge, As, Se, In, Sn, Sb, and Te) at the Sigma5(210) grain boundary (GB) and (210) free surface (FS) in fcc FM nickel. Whereas there is a slight enhancement of magnetization at the clean GB and FS with respect to bulk nickel (3–7% and 24%, respectively), most of these impurities nearly kill or substantially reduce the magnetic moments at the FS and, when segregating interstitially at the GB (i.e., Si, P, S, Ge, As, and Se), they produce magnetically dead layers at the boundary. We demonstrate that the existence of magnetically dead layers is a common phenomenon at the sp-impurity-decorated GB and FS in nickel. It is caused by a strong hybridization of sp states of the impurities with the d states of nickel and a redistribution of electron states in both majority and minority bands. With the help of ab initio electronic structure calculations, we study segregation of the sp elements (Al, Si, P, S, Ga, Ge, As, Se, In, Sn, Sb, and Te) at the Sigma5(210) grain boundary (GB) and (210) free surface (FS) in fcc FM nickel. Whereas there is a slight enhancement of magnetization at the clean GB and FS with respect to bulk nickel (3–7% and 24%, respectively), most of these impurities nearly kill or substantially reduce the magnetic moments at the FS and, when segregating interstitially at the GB (i.e., Si, P, S, Ge, As, and Se), they produce magnetically dead layers at the boundary. We demonstrate that the existence of magnetically dead layers is a common phenomenon at the sp-impurity-decorated GB and FS in nickel. It is caused by a strong hybridization of sp states of the impurities with the d states of nickel and a redistribution of electron states in both majority and minority bands. (en)
Title	Magnetically dead layers at sp-impurity-decorated grain boundaries and surfaces in nickel Magnetically dead layers at sp-impurity-decorated grain boundaries and surfaces in nickel (en)
skos:prefLabel	Magnetically dead layers at sp-impurity-decorated grain boundaries and surfaces in nickel Magnetically dead layers at sp-impurity-decorated grain boundaries and surfaces in nickel (en)
skos:notation	RIV/68081723:_____/11:00366261!RIV12-AV0-68081723
http://linked.open...avai/riv/aktivita	P S Z
http://linked.open...avai/riv/aktivity	P(ED1.1.00/02.0068), P(GA202/09/1786), P(GD106/09/H035), P(IAA100100920), S, Z(AV0Z20410507), Z(MSM0021622410)
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Všianská, Monika Šob, Mojmír
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav fyziky materiálů AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	210241
http://linked.open...ai/riv/idVysledku	RIV/68081723:_____/11:00366261
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	magnetically dead layers; sp-impurity-decorated grain boundaries and surfaces; nickel (en)
http://linked.open.../riv/klicoveSlovo	magnetically dead layers sp-impurity-decorated grain boundaries and surfaces nickel
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[C2D1C36B2E10]
http://linked.open...i/riv/nazevZdroje	Physical Review. B
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	Central european institute of technology Multiscale design of advanced materials Theoretical studies of grain boundaries with point defects and their aggregates Theoretical and experimental study of interfaces and martensitic phase transformations
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	84
http://linked.open...iv/tvurceVysledku	Šob, Mojmír Všianská, Monika
http://linked.open...ain/vavai/riv/wos	000293127900005
http://linked.open...n/vavai/riv/zamer	Physical properties of advanced materials in relation to their microstructure and processing Physical and chemical properties of advanced materials and structures
issn	1098-0121
number of pages	5 (xsd:int)

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