About: AB INITIO STUDY OF STRUCTURE AND MAGNETISM OF FeCo AT HIGH STRAINS

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Total energies and magnetic moments of FeCo along the tetragonal deformation path are calculated using first-principles electronic structure methods. Total energies are displayed in a contour plot as a function of tetragonal distortion and volume; borderline between the ferromagnetic and nonmagnetic states is shown. The calculated energies may be used to predict the lattice parameters of FeCo thin films on various (001) substrates; here we study the FeCo film on the MgO(001) substrate. The calculated results are compared with available experimental data. The loss of magnetism of FeCo at low atomic volumes and large shape deformations is observed. Total energies and magnetic moments of FeCo along the tetragonal deformation path are calculated using first-principles electronic structure methods. Total energies are displayed in a contour plot as a function of tetragonal distortion and volume; borderline between the ferromagnetic and nonmagnetic states is shown. The calculated energies may be used to predict the lattice parameters of FeCo thin films on various (001) substrates; here we study the FeCo film on the MgO(001) substrate. The calculated results are compared with available experimental data. The loss of magnetism of FeCo at low atomic volumes and large shape deformations is observed. (en)
Title	AB INITIO STUDY OF STRUCTURE AND MAGNETISM OF FeCo AT HIGH STRAINS AB INITIO STUDY OF STRUCTURE AND MAGNETISM OF FeCo AT HIGH STRAINS (en)
skos:prefLabel	AB INITIO STUDY OF STRUCTURE AND MAGNETISM OF FeCo AT HIGH STRAINS AB INITIO STUDY OF STRUCTURE AND MAGNETISM OF FeCo AT HIGH STRAINS (en)
skos:notation	RIV/00216224:14310/05:00013459!RIV10-MSM-14310___
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA202/03/1351), P(GD106/05/H008), P(IAA1041302), P(IBS2041105), Z(AV0Z20410507), Z(MSM0021622410)
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Čák, Miroslav 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	Masarykova univerzita / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	511170
http://linked.open...ai/riv/idVysledku	RIV/00216224:14310/05:00013459
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	electronic structure; magnetism; intermetallic alloys (en)
http://linked.open.../riv/klicoveSlovo	electronic structure intermetallic alloys magnetism
http://linked.open...ontrolniKodProRIV	[53A90BB36B4B]
http://linked.open...v/mistoKonaniAkce	Brno
http://linked.open...i/riv/mistoVydani	Brno
http://linked.open...i/riv/nazevZdroje	Víceúrovňový design pokrokových materiálů 05 - sborník doktorské konference
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...vavai/riv/projekt	Multiscale design of advanced materials Quantum-mechanical studies of strength, stability and phase transformations in advanced intermetallic compounds 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	2005
http://linked.open...iv/tvurceVysledku	Šob, Mojmír Legut, Dominik Čák, Miroslav
http://linked.open...vavai/riv/typAkce	CST - Celostátní
http://linked.open.../riv/zahajeniAkce	2006-12-01 (xsd:date)
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
number of pages	6 (xsd:int)
http://purl.org/ne...btex#hasPublisher	Ústav fyziky materiálů AV ČR
https://schema.org/isbn	80-239-6145-4
http://localhost/t...ganizacniJednotka	14310
is http://linked.open...avai/riv/vysledek of	AB INITIO STUDY OF STRUCTURE AND MAGNETISM OF FeCo AT HIGH STRAINS

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