Sökning: (swepub) pers:(Johansson Börje) conttype:(refereed) pers:(Hu Qing Miao)
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Site preference and...
Site preference and elastic properties of Fe-, Co-, and Cu- doped Ni(2)MnGa shape memory alloys from first principles
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- Li, Chun-Mei (författare)
- KTH,Tillämpad materialfysik
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Luo, Hu-Bin (författare)
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- Hu, Qing-Miao (författare)
- KTH,Tillämpad materialfysik
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Yang, Rui (författare)
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- Johansson, Börje (författare)
- KTH,Uppsala universitet,Materialteori,Tillämpad materialfysik
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- Vitos, Levente (författare)
- KTH,Uppsala universitet,Materialteori,Tillämpad materialfysik
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(creator_code:org_t)
- 2011
- 2011
- Engelska.
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 84:2, s. 024206-
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- The site preference and elastic properties of Fe-, Co-, and Cu-doped Ni(2)MnGa alloys are investigated by using the first-principles exact muffin-tin orbital method in combination with coherent-potential approximation. It is shown that Fe atom prefers to occupy the Mn and Ni sublattices even in Ga-deficient alloys; Co has strong tendency to occupy the Ni sublattice in all types of alloys; Cu atoms always occupy the sublattice of the host elements in deficiency. For most of the alloys with stable site occupations, both the electron density n and the shear modulus C' can be considered as predictors of the composition dependence of the martensitic transition temperature T(M) of the alloys. The physics underlying the composition-dependent C' are discussed based on the calculated density of states.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Nyckelord
- Physics
- Fysik
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- ref (ämneskategori)
- art (ämneskategori)
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