Siewert, Mario; Gruner, Markus Ernst; Hucht, Alfred; Herper, Heike; Dannenberg, Antje; Chakrabarti, Aparna; Singh, Navdeep; Arroyave, Raymundo; Entel, Peter:

A First-Principles Investigation of the Compositional Dependent Properties of Magnetic Shape Memory Heusler Alloys

In: Advanced Engineering Materials, Jg. 14 (2012) ; Nr. 8, S. 530-546
ISSN: 1527-2648
Zeitschriftenaufsatz / Fach: Physik
Fakultät für Physik » Theoretische Physik
Abstract:
Ab initio calculations are able to model the phase diagrams of magnetic shape memory Heusler alloys. In particular, the calculation of structural energy differences allows to approximate martensitic transition temperatures for a wide range of compositions using supercells. The derived formalism can be used to predict new magnetic shape memory materials like NiPtMn(Ga,Sn).

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