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arXiv · 1910.13075

Possible martensitic transformation in Pd2MnTi and Pt2MnTi: First-principles investigation

L. Feng
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Abstract

The martensitic transformation in new-type all-d-metal Heusler alloys Pd2MnTi and Pt2MnTi have been investigated based on first-principles investigations. The calculated results indicate that the martenstic transformation have great possibility to occur in both Pd2MnTi and Pt2MnTi. The energy differences between the cubic and tetragonal phases are 215.12 meV and 329.45 meV for Pd2MnTi and Pt2MnTi, respectively. The analysis of the electronic structure of cubic and tetragonal phases also support this conclusion. The magnetic properties are also investigated for the two compounds.

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L. Feng. 2019-10-29. Possible martensitic transformation in Pd2MnTi and Pt2MnTi: First-principles investigation. https://arxiv.org/abs/1910.13075

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