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005     20200423204122.0
024 7 _ |a 10.1088/0953-8984/17/21/008
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024 7 _ |a 2128/23029
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037 _ _ |a PreJuSER-45657
041 _ _ |a eng
082 _ _ |a 530
084 _ _ |2 WoS
|a Physics, Condensed Matter
100 1 _ |a Lezaic, M.
|b 0
|u FZJ
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245 _ _ |a Structural and magnetic properties of the (001) and (111) surfaces of the half-metal NiMnSb
260 _ _ |a Bristol
|b IOP Publ.
|c 2005
300 _ _ |a 3121 - 3136
336 7 _ |a Journal Article
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440 _ 0 |a Journal of Physics: Condensed Matter
|x 0953-8984
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|v 17
500 _ _ |a Record converted from VDB: 12.11.2012
520 _ _ |a Using the full potential linearized augmented plane-wave method we study the electronic and magnetic properties of the (001) and (111) surfaces of the half-metallic Heusler alloy NiMnSb from first principles. We take into account all possible surface terminations including relaxations of these surfaces. Special attention is paid to the spin polarization at-the Fermi level which governs the spin injection from such a metal into a semiconductor. In general, these surfaces lose the half-metallic character of the bulk NiMnSb, but for the (111) surfaces this loss is more pronounced. Although structural optimization does not change these features qualitatively, specifically for the (111) surfaces relaxations can compensate much of the spin polarization at the Fermi surface that has been lost upon formation of the surface.
536 _ _ |a Kondensierte Materie
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588 _ _ |a Dataset connected to Web of Science
650 _ 7 |a J
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700 1 _ |a Galanakis, I.
|b 1
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700 1 _ |a Bihlmayer, G.
|b 2
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|0 P:(DE-Juel1)130545
700 1 _ |a Blügel, S.
|b 3
|u FZJ
|0 P:(DE-Juel1)130548
773 _ _ |a 10.1088/0953-8984/17/21/008
|g Vol. 17, p. 3121 - 3136
|p 3121 - 3136
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|0 PERI:(DE-600)1472968-4
|t Journal of physics / Condensed matter
|v 17
|y 2005
|x 0953-8984
856 7 _ |u http://dx.doi.org/10.1088/0953-8984/17/21/008
856 4 _ |u https://juser.fz-juelich.de/record/45657/files/0502597v1.pdf
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915 _ _ |a JCR/ISI refereed
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920 1 _ |k CNI
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