تقرير
First-principles calculation of the instability leading to giant inverse magnetocaloric efects
| العنوان: | First-principles calculation of the instability leading to giant inverse magnetocaloric efects |
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| المؤلفون: | Comtesse, Denis, Gruner, Markus E., Sokolovskiy, Vladimir V., Buchelnikov, Vasiliy D., Grünebohm, Anna, Arroyave, Raymundo, Singh, Navdeep, Gottschall, Tino, Gutfleisch, Oliver, Chernenko, Volodymyr, Albertini, Franca, Fähler, Sebastian, Entel, Peter |
| سنة النشر: | 2014 |
| المجموعة: | Condensed Matter |
| مصطلحات موضوعية: | Condensed Matter - Materials Science |
| الوصف: | The structural and magnetic properties of functional Ni-Mn-Z (Z = Ga, In, Sn) Heusler alloys are studied by first-principles and Monte Carlo methods. The \textit{ab initio} calculations give a basic understanding of the underlying physics which is associated with the strong competition of ferro- and antiferromagnetic interactions with increasing chemical disorder. The resulting $d$-electron orbital dependent magnetic ordering is the driving mechanism of magnetostructural instability which is accompanied by a drop of magnetization governing the size of the magnetocaloric effect. The thermodynamic properties are calculated by using the \textit{ab initio} magnetic exchange coupling constants in finite-temperature Monte Carlo simulations, which are used to accurately reproduce the experimental entropy and adiabatic temperature changes across the magnetostructural transition. Comment: First-principles calculations of magnetocaloric effects |
| نوع الوثيقة: | Working Paper |
| DOI: | 10.1103/PhysRevB.89.184403 |
| URL الوصول: | http://arxiv.org/abs/1401.8148 |
| رقم الأكسشن: | edsarx.1401.8148 |
| قاعدة البيانات: | arXiv |
| DOI: | 10.1103/PhysRevB.89.184403 |
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