Designing shape-memory Heusler alloys from first-principles
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 s...
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| Veröffentlicht in: | Applied physics letters 2011-11, Vol.99 (19), p.191904-191904-3 |
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| container_end_page | 191904-3 |
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| container_issue | 19 |
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| container_title | Applied physics letters |
| container_volume | 99 |
| creator | 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, R. Entel, P. |
| description | 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%. |
| doi_str_mv | 10.1063/1.3655905 |
| format | Article |
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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. 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R.</creatorcontrib><creatorcontrib>Singh, S.</creatorcontrib><creatorcontrib>Al-Zubi, A.</creatorcontrib><creatorcontrib>Hickel, T.</creatorcontrib><creatorcontrib>Neugebauer, J.</creatorcontrib><creatorcontrib>Gillessen, M.</creatorcontrib><creatorcontrib>Dronskowski, R.</creatorcontrib><creatorcontrib>Entel, P.</creatorcontrib><collection>CrossRef</collection><jtitle>Applied physics letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Siewert, M.</au><au>Gruner, M. E.</au><au>Dannenberg, A.</au><au>Chakrabarti, A.</au><au>Herper, H. C.</au><au>Wuttig, M.</au><au>Barman, S. R.</au><au>Singh, S.</au><au>Al-Zubi, A.</au><au>Hickel, T.</au><au>Neugebauer, J.</au><au>Gillessen, M.</au><au>Dronskowski, R.</au><au>Entel, P.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Designing shape-memory Heusler alloys from first-principles</atitle><jtitle>Applied physics letters</jtitle><date>2011-11-07</date><risdate>2011</risdate><volume>99</volume><issue>19</issue><spage>191904</spage><epage>191904-3</epage><pages>191904-191904-3</pages><issn>0003-6951</issn><eissn>1077-3118</eissn><coden>APPLAB</coden><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%.</abstract><pub>American Institute of Physics</pub><doi>10.1063/1.3655905</doi></addata></record> |
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| source | AIP Journals Complete; AIP Digital Archive; Alma/SFX Local Collection |
| title | Designing shape-memory Heusler alloys from first-principles |
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