Siewert, M. ; Gruner, M. E. ; Dannenberg, A. ; Chakrabarti, A. ; Herper, H. C. ; Wuttig, M. ; Barman, S. R. ; Singh, S. ; Al-Zubi, A. ; Hickel, T. ; Neugebauer, J. ; Gillessen, M. ; Dronskowski P., R. (2011) Designing shape-memory Heusler alloys from first-principles Applied Physics Letters, 99 (19). 191904_1-191904_3. ISSN 0003-6951
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Official URL: http://apl.aip.org/resource/1/applab/v99/i19/p1919...
Related URL: http://dx.doi.org/10.1063/1.3655905
Abstract
The phase diagrams of magnetic shape-memory Heusler alloys, in particular, ternary Ni-Mn-Z and quarternary (Pt, Ni)-Mn-Z alloys with Z=Ga, Sn, have been addressed by density functional theory and Monte Carlo simulations. Finite temperature free energy calculations show that the phonon contribution stabilizes the high-temperature austenite structure while at low temperatures magnetism and the band Jahn-Teller effect favor the modulated monoclinic 14M or the nonmodulated tetragonal structure. The substitution of Ni by Pt leads to a series of magnetic shape-memory alloys with very similar properties to Ni-Mn-Ga but with a maximal eigenstrain of 14%.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Institute of Physics. |
| Keywords: | Density Functional Theory; Free Energy; Gallium Alloys; Jahn-teller Effect; Manganese Alloys; Monte Carlo Methods; Nickel Alloys; Phase Diagrams; Platinum Alloys; Shape Memory Effects; Tin Alloys |
| ID Code: | 93084 |
| Deposited On: | 13 Jun 2012 10:58 |
| Last Modified: | 13 Jun 2012 10:58 |
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