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Theoretical studies of epitaxially grown Co and Ni thin films on (111) metallic substrates

SYSNO ASEP	0318097
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Theoretical studies of epitaxially grown Co and Ni thin films on (111) metallic substrates
Title	Teoretické studium epitaxních vrstev kobaltu a niklu na substrátech s geometrií (111)
Author(s)	Zelený, Martin (UFM-A) Šob, Mojmír (UFM-A)_{RID, ORCID}
Source Title	Physical Review. B - ISSN 1098-0121 Roč. 77, č. 15 (2008), 155435/1-155435/6
Number of pages	6 s.
Language	eng - English
Country	US - United States
Keywords	Thin metallic films ; Ab initio calculations ; Electronic structure
Subject RIV	BM - Solid Matter Physics ; Magnetism
R&D Projects	IAA1041302 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
	GD106/05/H008 GA ČR - Czech Science Foundation (CSF)
	OC 147 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
CEZ	AV0Z20410507 - UFM-A (2005-2011)
UT WOS	000255457400133
DOI	10.1103/PhysRevB.77.155435
Annotation	Total energies of hcp and trigonally distorted fcc Co and Ni are studied from first principles. Regions of stability of these structures are found and the behavior of the total energies is used to explain and predict the lattice parameters and magnetic states of Co and Ni thin films on various (111) substrates. The stresses needed to keep the thin films coherent with the substrates are also determined. The theoretical results agree surprisingly well with available experimental data.
Workplace	Institute of Physics of Materials
Contact	Yvonna Šrámková, sramkova@ipm.cz, Tel.: 532 290 485
Year of Publishing	2009

Number of the records: 1