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

2019/10/29 by L. Feng, Lin Feng, Feng, L.
Engineering · Materials Science · Physics and Astronomy · #FOS: Physical sciences #Heusler alloys: electronic and magnetic properties #Intermetallics and Advanced Alloy Properties #Materials Science (cond-mat.mtrl-sci) #Shape Memory Alloy Transformations #cond-mat.mtrl-sci

paper · pdf · doi:10.48550/arxiv.1910.13075

arxiv created 2019/10/29 · openalex publication_date 2019/10/29 · arxiv updated 2019/10/30 · openalex created_date 2019/11/08 · openalex updated_date 2026/07/28

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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