About: Ab initio study of Co and Ni under uniaxial and biaxial loading and in epitaxial overlayers

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	A detailed theoretical study of structural and magnetic behaviors of cubic cobalt and nickel along the bcc-fcc (Bain) transformation paths as well as of hcp cobalt and nickel loaded uniaxially along the (0001) direction at various atomic volumes is presented. Stability of possible ferromagnetic phases of bcc nickel is analyzed. The calculated contour plots of total energy are used to explain and predict the lattice parameters and magnetic states of tetragonal and hcp cobalt and nickel overlayers on various (001) or (111) substrates, respectively. In case of tetragonally deformed structures, the stresses needed to keep the thin films coherent with the substrates are also determined and all Co and Ni overlayers on (001) cubic substrates are predicted to be ferromagnetic. It is shown that the lattice parameters of Co and Ni overlayers may be very well understood in terms of properties of appropriately deformed bulk Co and Ni. A detailed theoretical study of structural and magnetic behaviors of cubic cobalt and nickel along the bcc-fcc (Bain) transformation paths as well as of hcp cobalt and nickel loaded uniaxially along the (0001) direction at various atomic volumes is presented. Stability of possible ferromagnetic phases of bcc nickel is analyzed. The calculated contour plots of total energy are used to explain and predict the lattice parameters and magnetic states of tetragonal and hcp cobalt and nickel overlayers on various (001) or (111) substrates, respectively. In case of tetragonally deformed structures, the stresses needed to keep the thin films coherent with the substrates are also determined and all Co and Ni overlayers on (001) cubic substrates are predicted to be ferromagnetic. It is shown that the lattice parameters of Co and Ni overlayers may be very well understood in terms of properties of appropriately deformed bulk Co and Ni. (en)
Title	Ab initio study of Co and Ni under uniaxial and biaxial loading and in epitaxial overlayers Ab initio study of Co and Ni under uniaxial and biaxial loading and in epitaxial overlayers (en)
skos:prefLabel	Ab initio study of Co and Ni under uniaxial and biaxial loading and in epitaxial overlayers Ab initio study of Co and Ni under uniaxial and biaxial loading and in epitaxial overlayers (en)
skos:notation	RIV/00216224:14310/08:00024426!RIV10-MSM-14310___
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(OC 147), Z(AV0Z20410507), Z(MSM0021622410)
http://linked.open...iv/cisloPeriodika	22
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Zelený, Martin Šob, Mojmír Legut, Dominik
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	Masarykova univerzita / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	354625
http://linked.open...ai/riv/idVysledku	RIV/00216224:14310/08:00024426
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	electronic structure; uniaxial loading; biaxial loading; thin films (en)
http://linked.open.../riv/klicoveSlovo	uniaxial loading electronic structure biaxial loading thin films
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[6D13E3372075]
http://linked.open...i/riv/nazevZdroje	Physical Review B
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	http://linked.opendata.cz/resource/domain/vavai/projekt/OC%20147 Multiscale design of advanced materials Theoretical studies of structure and magnetic properties of internal interfaces in metallic materials Mechanical properties of advanced materials and stability of higher-energy phases
http://linked.open...UplatneniVysledku	2008
http://linked.open...v/svazekPeriodika	77
http://linked.open...iv/tvurceVysledku	Zelený, Martin Šob, Mojmír Legut, Dominik
http://linked.open...ain/vavai/riv/wos	000262245200021
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	11 (xsd:int)
http://localhost/t...ganizacniJednotka	14310
is http://linked.open...avai/riv/vysledek of	Ab initio study of Co and Ni under uniaxial and biaxial loading and in epitaxial overlayers Ab initio study of Co and Ni under uniaxial and biaxial loading and in epitaxial overlayers Ab initio study of Co and Ni under uniaxial and biaxial loading and in epitaxial overlayers Ab initio study of Co and Ni under uniaxial and biaxial loading and in epitaxial overlayers

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