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

Authors：Chen Jian Yong^*; Wang Xing

Source：Chinese Physics B, 2015, 24(8): 086301.

DOI：10.1088/1674-1056/24/8/086301

• transition temperature
• Ni-based antiperovskite nitride
• first-principles

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 T-c 3.16 K (3.53 K), which is in good agreement with corresponding experimental T-c 3.2 K (3 K) for CuNNi3 (ZnNNi3). They can be verified as conventional phonon-mediated superconductors.

• Institution
  Guilin University of Aerospace Technology