First-principles verification of CuNNi3 and ZnNNi3 as phonon mediated superconductors

Very recently, a new Ni-based antiperovskite nitride superconductor CuNNi3 has been successfully synthesized. We investigate the electronic structures, phonon dispersions, and electron–phonon interactions of CuNNi3 and the isostructual ZnNNi3 by first-principles approach. By analyzing the Eliashberg...

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Bibliographic Details
Published in:中国物理B：英文版 2015-08 (8), p.469-473
Main Author: 陈建勇 王星
Format: Article
Language:English
Subjects:
antiperovskite
nitride
first-principles
temperature
Ni-based
transition
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Summary:Very recently, a new Ni-based antiperovskite nitride superconductor CuNNi3 has been successfully synthesized. We investigate the electronic structures, phonon dispersions, and electron–phonon interactions of CuNNi3 and the isostructual ZnNNi3 by first-principles approach. By analyzing the Eliashberg function we obtain the superconducting transition temperature Tc 3.16 K(3.53 K), which is in good agreement with corresponding experimental Tc 3.2 K(3 K) for Cu NNi3(ZnNNi3). They can be verified as conventional phonon-mediated superconductors.
ISSN:1674-1056
2058-3834
DOI:10.1088/1674-1056/24/8/086301