About: Theory of orbital moment collapse under pressure in FeI 2 .

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	In the present work we apply LDA and LDA+U approaches to calculate the electronic structure and to investigate the Fe on-site quantities. We propose that the vanishing of the orbital moment is connected to the change of orbital order as reflected in the symmetry of the occupied minority-spin orbital. We fined good agreement between the calculated and measured hyperfine fields and quadrupolar shifts, and make predictions which can serve to validate the proposed mechanism of orbital moment collaps experimentally. In the present work we apply LDA and LDA+U approaches to calculate the electronic structure and to investigate the Fe on-site quantities. We propose that the vanishing of the orbital moment is connected to the change of orbital order as reflected in the symmetry of the occupied minority-spin orbital. We fined good agreement between the calculated and measured hyperfine fields and quadrupolar shifts, and make predictions which can serve to validate the proposed mechanism of orbital moment collaps experimentally. (en)
Title	Theory of orbital moment collapse under pressure in FeI 2 . Theory of orbital moment collapse under pressure in FeI 2 . (en)
skos:prefLabel	Theory of orbital moment collapse under pressure in FeI 2 . Theory of orbital moment collapse under pressure in FeI 2 . (en)
skos:notation	RIV/68378271:_____/03:02030288!RIV/2004/AV0/A02004/N
http://linked.open.../vavai/riv/strany	115101;1 - 115101-8
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(AV0Z1010914)
http://linked.open...iv/cisloPeriodika	11
http://linked.open...vai/riv/dodaniDat	2004
http://linked.open...aciTvurceVysledku	Kuneš, Jan
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	Fyzikální ústav AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	630846
http://linked.open...ai/riv/idVysledku	RIV/68378271:_____/03:02030288
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	electronic structure; magnetism; ab initio calculation (en)
http://linked.open.../riv/klicoveSlovo	electronic structure ab initio calculation magnetism
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[C540A51865C5]
http://linked.open...i/riv/nazevZdroje	Physical Review. B
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...UplatneniVysledku	2003
http://linked.open...v/svazekPeriodika	68
http://linked.open...iv/tvurceVysledku	Rosner, H. Kuneš, Jan Pickett, W. E. Rodriguez, C. O. Kasinathan, D.
http://linked.open...n/vavai/riv/zamer	Experimentální a teoretický výzkum kondenzovaných systémů s význačnými fyzikálními vlastnostmi
issn	0163-1829
number of pages	8 (xsd:int)

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