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005     20230426083056.0
017 _ _ |a This version is available at the following Publisher URL: http://prb.aps.org
024 7 _ |a 10.1103/PhysRevB.71.214435
|2 DOI
024 7 _ |a WOS:000230276600072
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024 7 _ |a 2128/1415
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037 _ _ |a PreJuSER-46384
041 _ _ |a eng
082 _ _ |a 530
084 _ _ |2 WoS
|a Physics, Condensed Matter
100 1 _ |a Singer, R.
|b 0
|0 P:(DE-HGF)0
245 _ _ |a Constrained spin-density functional theory for excited magnetic configurations in an adiabatic approximation
260 _ _ |a College Park, Md.
|b APS
|c 2005
300 _ _ |a 214435
336 7 _ |a Journal Article
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336 7 _ |a Journal Article
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336 7 _ |a ARTICLE
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336 7 _ |a JOURNAL_ARTICLE
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336 7 _ |a article
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440 _ 0 |a Physical Review B
|x 1098-0121
|0 4919
|v 71
500 _ _ |a Record converted from VDB: 12.11.2012
520 _ _ |a The magnetic energy and the magnitudes of the magnetic moments are calculated for excited magnetic configurations with strong moment cantings. The calculations are performed by use of an exact constraining scheme for the moments via constraining fields, and by use of an approximate constraining scheme via the prescription of the local spin quantization axes in the spin atomic sphere approximation. It is shown that the latter constraining scheme becomes totally inadequate for systems with strong moment cantings. When increasing the degree of moment canting, the magnitudes of the moments remain rather stable for Fe but become completely unstable for Ni while for Co the situation is in between the two cases.
536 _ _ |a Kondensierte Materie
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542 _ _ |i 2005-06-30
|2 Crossref
|u http://link.aps.org/licenses/aps-default-license
588 _ _ |a Dataset connected to Web of Science
650 _ 7 |a J
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700 1 _ |a Fähnle, M.
|b 1
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700 1 _ |a Bihlmayer, G.
|b 2
|u FZJ
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773 1 8 |a 10.1103/physrevb.71.214435
|b American Physical Society (APS)
|d 2005-06-30
|n 21
|p 214435
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|t Physical Review B
|v 71
|y 2005
|x 1098-0121
773 _ _ |a 10.1103/PhysRevB.71.214435
|g Vol. 71, p. 214435
|p 214435
|n 21
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856 7 _ |u http://dx.doi.org/10.1103/PhysRevB.71.214435
|u http://hdl.handle.net/2128/1415
856 4 _ |u https://juser.fz-juelich.de/record/46384/files/73327.pdf
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913 1 _ |k M02
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914 1 _ |y 2005
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920 1 _ |k IFF-TH-I
|l Theorie I
|d 31.12.2006
|g IFF
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