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Site preference and elastic properties of Fe-, Co-, and Cu-doped Ni2MnCa shape memory alloys from first principles.
- Source :
-
Physical Review B: Condensed Matter & Materials Physics . Jul2011, Vol. 84 Issue 2, p24206.1-24206.10. 10p. - Publication Year :
- 2011
-
Abstract
- The site preference and elastic properties of Fe-, Co-, and Cu-doped Ni2MnGa 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 TM of the alloys. The physics underlying the composition-dependent C' are discussed based on the calculated density of states. [ABSTRACT FROM AUTHOR]
- Subjects :
- *ELASTICITY
*MICROALLOYING
*ELECTRON distribution
*TEMPERATURE
*ALLOYS
Subjects
Details
- Language :
- English
- ISSN :
- 10980121
- Volume :
- 84
- Issue :
- 2
- Database :
- Academic Search Index
- Journal :
- Physical Review B: Condensed Matter & Materials Physics
- Publication Type :
- Academic Journal
- Accession number :
- 66700887
- Full Text :
- https://doi.org/10.1103/PhysRevB.84.024206