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Magnetic properties...
Magnetic properties and temperature-dependent half-metallicity of Co2Mn(Ga(1-x)Z(x)) (Z = Si, Ge, Sn) from first-principles calculation
- Artikel/kapitelEngelska2013
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2013-03-19
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IOP Publishing,2013
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Nummerbeteckningar
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LIBRIS-ID:oai:DiVA.org:kth-121107
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https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-121107URI
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https://doi.org/10.1088/0953-8984/25/15/156003DOI
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https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-198596URI
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Språk:engelska
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Sammanfattning på:engelska
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Ämneskategori:ref swepub-contenttype
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Ämneskategori:art swepub-publicationtype
Anmärkningar
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QC 20130422
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Using the first-principles exact muffin-tin orbitals method in combination with the coherent potential approximation, we investigated the magnetic properties, exchange interactions, and temperature-dependent half-metallicity of the Co2Mn(Ga(1-x)Z(x)) (Z = Si, Ge, Sn) alloys. The total magnetic moment follows perfectly a previously proposed Slater-Pauling relation, i.e., mu(0) = N-t - 24, with N-t being the number of valence electrons. The Co-Mn and Co1-Co2 (inter-sublattice) interactions are dominated by direct exchange, whereas the Co1-Co1 (intra-sublattice) interaction is characterized by superexchange. The Mn-Mn exchange interaction in Co2MnGa is of long-ranged RKKY-type. However, the Mn-Mn exchange interactions in Co(2)MnZ are relatively localized and can be attributed to superexchange. The Co-Mn, Co1-Co2 and Co1-Co1 total exchange interactions increase with x, whereas the Mn-Mn total exchange interactions show convex behavior. The calculated Curie temperature (T-C) increases with x. The ability of Z to enhance T-C follows the sequence of Si > Ge > Sn, in agreement with the experimental findings. The temperature dependence of the spin polarization at the Fermi level [P(T)] is investigated based on the disordered local moment model. P(T) drops abruptly at temperatures much lower than T-C. At temperatures higher than 200 K, the composition with higher TC generally corresponds to larger P(T).
Ämnesord och genrebeteckningar
Biuppslag (personer, institutioner, konferenser, titlar ...)
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Hu, Qing-Miao
(författare)
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Li, Chun-Mei
(författare)
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Johansson, BörjeUppsala universitet,KTH,Tillämpad materialfysik,Materialteori(Swepub:uu)borjejs
(författare)
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Vitos, LeventeUppsala universitet,KTH,Tillämpad materialfysik,Materialteori(Swepub:uu)lvi21721
(författare)
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Yang, Rui
(författare)
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KTHTillämpad materialfysik
(creator_code:org_t)
Sammanhörande titlar
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Ingår i:Journal of Physics: IOP Publishing25:15, s. 156003-0953-89841361-648X
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