Abstract
Using first-principles calculation, we investigate systematically the properties of ZrNi2Ga with fcc L 21 Heusler structure, including the electronic structure, phonon dispersion, electron-phonon interaction and thermodynamics. The calculated electron-phonon coupling constant λ and the logarithmically averaged frequency are 0.747 and 68.48cm -1, respectively, giving the superconducting transition temperature Tc = 3.15K according to the Allen-Dynes formula. It is in good agreement with the corresponding experimental Tc and ZrNi 2Ga therefore can be explained as a conventional phonon-mediated superconductor.
Original language | English |
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Article number | 075501 |
Journal | Journal of Physics Condensed Matter |
Volume | 21 |
Issue number | 7 |
DOIs | |
Publication status | Published - 2009 |
Externally published | Yes |
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Ming, W., Liu, Y., Zhang, W., Zhao, J., & Yao, Y. (2009). First-principles study of the electronic, vibrational, electron-phonon interaction and thermodynamics properties of ZrNi2Ga. Journal of Physics Condensed Matter, 21(7), Article 075501. https://doi.org/10.1088/0953-8984/21/7/075501