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Ab initio calculati...
Ab initio calculations and synthesis of the off-stoichiometric half-Heusler phase Ni1-xMn1+xSb
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- Ekholm, Marcus (författare)
- Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
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- Larsson, Petter (författare)
- Linköpings universitet,Tekniska högskolan,Plasma och ytbeläggningsfysik
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- Alling, Björn (författare)
- Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
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- Helmersson, Ulf (författare)
- Linköpings universitet,Plasma och ytbeläggningsfysik,Tekniska högskolan
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- Abrikosov, Igor (författare)
- Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
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(creator_code:org_t)
- American Institute of Physics, 2010
- 2010
- Engelska.
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Ingår i: JOURNAL OF APPLIED PHYSICS. - : American Institute of Physics. - 0021-8979 .- 1089-7550. ; 108:9
- Relaterad länk:
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http://liu.diva-port...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- We perform a combined theoretical and experimental study of the phase stability and magnetism of the off-stoichiometric Ni1-xMn1+xSb in the half-Heusler crystal phase. Our work is motivated by the need for strategies to engineer the magnetism of potentially half-metallic materials, such as NiMnSb, for improved performance at elevated temperatures. By means of ab initio calculations we investigate Ni1-xMn1+xSb over the whole composition range 0 andlt;= x andlt;= 1 of Ni replacing Mn and show that at relevant temperatures, the half-Heusler phase should be thermodynamically stable up to at least x=0.20 with respect to the competing C38 structure of Mn2Sb. Furthermore we find that half-Heusler Ni1-xMn1+xSb retains half-metallic band structure over the whole concentration range and that the magnetic moments of substitutional Mn-Ni atoms display magnetic exchange interactions an order of magnitude larger than the Ni-Mn interaction in NiMnSb. We also demonstrate experimentally that the alloys indeed can be created by synthesizing off-stoichiometric Ni1-xMn1+xSb films on MgO substrates by means of magnetron sputtering.
Nyckelord
- TECHNOLOGY
- TEKNIKVETENSKAP
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