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Statements

Subject Item
n2:RIV%2F00216224%3A14310%2F08%3A00024426%21RIV10-MSM-14310___
rdf:type
skos:Concept n16:Vysledek
dcterms: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.
dcterms: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
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
skos:notation
RIV/00216224:14310/08:00024426!RIV10-MSM-14310___
n4:aktivita
n13:P n13:Z
n4:aktivity
P(GA202/06/1509), P(GD106/05/H008), P(IAA1041302), P(OC 147), Z(AV0Z20410507), Z(MSM0021622410)
n4:cisloPeriodika
22
n4:dodaniDat
n15:2010
n4:domaciTvurceVysledku
n6:6805078 n6:6438776 n6:4588924
n4:druhVysledku
n17:J
n4:duvernostUdaju
n19:S
n4:entitaPredkladatele
n11:predkladatel
n4:idSjednocenehoVysledku
354625
n4:idVysledku
RIV/00216224:14310/08:00024426
n4:jazykVysledku
n7:eng
n4:klicovaSlova
electronic structure; uniaxial loading; biaxial loading; thin films
n4:klicoveSlovo
n18:thin%20films n18:electronic%20structure n18:uniaxial%20loading n18:biaxial%20loading
n4:kodStatuVydavatele
US - Spojené státy americké
n4:kontrolniKodProRIV
[6D13E3372075]
n4:nazevZdroje
Physical Review B
n4:obor
n10:BM
n4:pocetDomacichTvurcuVysledku
3
n4:pocetTvurcuVysledku
3
n4:projekt
n5:GD106%2F05%2FH008 n5:OC%20147 n5:GA202%2F06%2F1509 n5:IAA1041302
n4:rokUplatneniVysledku
n15:2008
n4:svazekPeriodika
77
n4:tvurceVysledku
Legut, Dominik Zelený, Martin Šob, Mojmír
n4:wos
000262245200021
n4:zamer
n9:AV0Z20410507 n9:MSM0021622410
s:issn
1098-0121
s:numberOfPages
11
n12:organizacniJednotka
14310