About: Ab initio study of iron magnetism along Bain's path: Applications to overlayers.

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About: Ab initio study of iron magnetism along Bain's path: Applications to overlayers. Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	A detailed study of magnetic behavior of iron along the bcc-fcc (Bain's) transformation paths at various atomic volumes is presented. The total energies and magnetic moments are calculated by spin-polarized full-potential LAPW method and are displayed in contour plots as functions of tetragonal distortion c/a and volume; borderlines between various magnetic phases are shown. The calculated phase boundaries are used to predict the lattice parameters and magnetic states of iron overlayers on various (001) substrates. Detailed comparison of the local-density and generalized-gradient approximation is performed. A detailed study of magnetic behavior of iron along the bcc-fcc (Bain's) transformation paths at various atomic volumes is presented. The total energies and magnetic moments are calculated by spin-polarized full-potential LAPW method and are displayed in contour plots as functions of tetragonal distortion c/a and volume; borderlines between various magnetic phases are shown. The calculated phase boundaries are used to predict the lattice parameters and magnetic states of iron overlayers on various (001) substrates. Detailed comparison of the local-density and generalized-gradient approximation is performed. (en)
Title	Ab initio study of iron magnetism along Bain's path: Applications to overlayers. Ab initio study of iron magnetism along Bain's path: Applications to overlayers. (en)
skos:prefLabel	Ab initio study of iron magnetism along Bain's path: Applications to overlayers. Ab initio study of iron magnetism along Bain's path: Applications to overlayers. (en)
skos:notation	RIV/68081723:_____/03:07023091!RIV/2004/AV0/A07004/N
http://linked.open.../vavai/riv/strany	399;415
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA106/99/1178), P(IAA1010817), P(ME 264), P(OC P3.10), Z(AV0Z2041904)
http://linked.open...vai/riv/dodaniDat	2004
http://linked.open...aciTvurceVysledku	Friák, Martin Šob, Mojmír
http://linked.open.../riv/druhVysledku	C - Kapitola v knize
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	597241
http://linked.open...ai/riv/idVysledku	RIV/68081723:_____/03:07023091
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ab initio calculations; electronic structure; magnetic phase transitions (en)
http://linked.open.../riv/klicoveSlovo	electronic structure ab initio calculations magnetic phase transitions
http://linked.open...ontrolniKodProRIV	[16347C2FC8F0]
http://linked.open...i/riv/mistoVydani	New York
http://linked.open...vEdiceCisloSvazku	(1)
http://linked.open...i/riv/nazevZdroje	Electron Correlations and Materials Properties 2.
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	Experimental and theoretical studies of grain boundary segregation http://linked.opendata.cz/resource/domain/vavai/projekt/ME%20264 http://linked.opendata.cz/resource/domain/vavai/projekt/OC%20P3.10 Stability of crystal structures and lattice defects in intermetallics
http://linked.open...UplatneniVysledku	2003
http://linked.open...iv/tvurceVysledku	Friák, Martin Vitek, V. Šob, Mojmír
http://linked.open...n/vavai/riv/zamer	Behavior and properties of metallic and non-metallic materials in relation to their structure, research on processes leading to degradation of material quality
number of pages	17 (xsd:int)
http://purl.org/ne...btex#hasPublisher	Kluwer Academic/Plenum Publishers

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