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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 (author)
- KTH,Tillämpad materialfysik
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Luo, Hu-Bin (author)
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- Hu, Qing-Miao (author)
- KTH,Tillämpad materialfysik
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Yang, Rui (author)
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- Johansson, Börje (author)
- KTH,Uppsala universitet,Materialteori,Tillämpad materialfysik
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- Vitos, Levente (author)
- KTH,Uppsala universitet,Materialteori,Tillämpad materialfysik
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(creator_code:org_t)
- 2011
- 2011
- English.
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In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 84:2, s. 024206-
- Related links:
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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
Subject headings
Close
- 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.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- Physics
- Fysik
Publication and Content Type
- ref (subject category)
- art (subject category)
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