About: Ab initio study of Ni and Co thin films on (111) metallic substrates

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Pseudomorphic overlayers adopt the lattice dimensions of the fcc substrate in the (111) plane and relax the interlayer distance. There are two possible stackings of the layers in the film: ABABAB..., giving the hcp structure, and ABCABC..., providing the trigonally distorted fcc structure. For nickel films, we predict the fcc layer stacking in the neighborhood of the ground state up to DNN equal to 5.25 a If the substrates have the DNN larger, the film should exhibit the hcp layer stacking. Cobalt films behave differently. Total energies of hcp structures are lower than energies of trigonally distorted fcc structures in the whole region studied. Pseudomorphic overlayers adopt the lattice dimensions of the fcc substrate in the (111) plane and relax the interlayer distance. There are two possible stackings of the layers in the film: ABABAB..., giving the hcp structure, and ABCABC..., providing the trigonally distorted fcc structure. For nickel films, we predict the fcc layer stacking in the neighborhood of the ground state up to DNN equal to 5.25 a If the substrates have the DNN larger, the film should exhibit the hcp layer stacking. Cobalt films behave differently. Total energies of hcp structures are lower than energies of trigonally distorted fcc structures in the whole region studied. (en) Pseudomorfní vrstva v rovině fcc (111) substrátů přijímá jeho mřížkovou konstantu a relaxuje mezirovinnou vzdáenost. Jsou dva možné způsoby uspořádání vrstev filmu: ABABAB... odpovídá hcp strukture a ABCABC... vede k trigonálně deformované struktůře. Pro niklové filmy předpovídáme fcc uspořádání vrstev v okolí základního stavu až po DNN = 5.25 a Jestliže má substrát větší DNN, film vykazuje hcp uspořádání. Kobalt se chová odlišně. Totální energie hcp struktury je nižší než energie trigonálně deformované struktury v celé studované oblasti. (cs)
Title	Ab initio study of Ni and Co thin films on (111) metallic substrates Ab inito studium Ni a Co tenkých vrstev na (111) kovových substrátech (cs) Ab initio study of Ni and Co thin films on (111) metallic substrates (en)
skos:prefLabel	Ab initio study of Ni and Co thin films on (111) metallic substrates Ab inito studium Ni a Co tenkých vrstev na (111) kovových substrátech (cs) Ab initio study of Ni and Co thin films on (111) metallic substrates (en)
skos:notation	RIV/68081723:_____/06:00048522!RIV07-AV0-68081723
http://linked.open.../vavai/riv/strany	95;96
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA202/06/1509), P(GD106/05/H008), P(IAA1041302), P(IBS2041105), Z(AV0Z20410507)
http://linked.open...vai/riv/dodaniDat	2007
http://linked.open...aciTvurceVysledku	Zelený, Martin Šob, Mojmír
http://linked.open.../riv/druhVysledku	D - Článek ve sborníku
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	463928
http://linked.open...ai/riv/idVysledku	RIV/68081723:_____/06:00048522
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ab initio; thin films (en)
http://linked.open.../riv/klicoveSlovo	ab initio thin films
http://linked.open...ontrolniKodProRIV	[D738BCD4BD83]
http://linked.open...v/mistoKonaniAkce	Vienna
http://linked.open...i/riv/mistoVydani	Vienna
http://linked.open...i/riv/nazevZdroje	DFTEM 2006 - bringing together two communites
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	Multiscale design of advanced materials Theoretical studies of structure and magnetic properties of internal interfaces in metallic materials Surfaces and interfaces in structural materials - applications of modern technologies and computer modelling Mechanical properties of advanced materials and stability of higher-energy phases
http://linked.open...UplatneniVysledku	2006
http://linked.open...iv/tvurceVysledku	Zelený, Martin Šob, Mojmír
http://linked.open...vavai/riv/typAkce	WRD - Světová
http://linked.open.../riv/zahajeniAkce	2006-04-21 (xsd:date)
http://linked.open...n/vavai/riv/zamer	Physical properties of advanced materials in relation to their microstructure and processing
number of pages	2 (xsd:int)
http://purl.org/ne...btex#hasPublisher	Editio Amici - Physicae et chimicae solidorum amici
https://schema.org/isbn	3-902548-00-2
is http://linked.open...avai/riv/vysledek of	Ab initio study of Ni and Co thin films on (111) metallic substrates Ab initio study of Ni and Co thin films on (111) metallic substrates

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