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Investigation on Martensitic Transformation and Magnetic Properties of all-d-Metal Pd2MnTi and Pt2MnTi by First-Principle Calculations

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Abstract

We have used the first-principles method to investigate the martensitic transformation in new-type all-d-metal Pd2MnTi and Pt2MnTi. The results suggest that the tetragonal martensitic phase is more stable than the cubic austenitic phase for both Pd2MnTi and Pt2MnTi. The driving forces of Pd2MnTi and Pt2MnTi are 215.12 and 329.45 meV/f.u., respectively. This means that the martensitic transformation stands a good chance to happen in both Pd2MnTi and Pt2MnTi. The electronic structure indicates that the tetragonal distortion could enhance the phase stability greatly. The magnetic properties are also studied for the two compounds. And we find that the martensitic transformation has a great impact on the magnetic moment of Ti.

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Funding

This work is supported by the Scientific and the Technological Innovation Programs of Higher Education Institutions in Shanxi in Grant No. 201802023.

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  1. Department of Physics, Taiyuan University of Technology, Taiyuan, 030024, Republic of China

    L. Feng

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Feng, L. Investigation on Martensitic Transformation and Magnetic Properties of all-d-Metal Pd2MnTi and Pt2MnTi by First-Principle Calculations. J Supercond Nov Magn 33, 2245–2250 (2020). https://doi.org/10.1007/s10948-020-05511-4

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  • DOI: https://doi.org/10.1007/s10948-020-05511-4

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