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

doi:10.1088/1674-1056/24/8/086301

Abstract 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.

Keywords: transition temperature Ni-based antiperovskite nitride first-principles

Received: 09 December 2014
Revised: 30 March 2015
Accepted manuscript online:

PACS:	63.20.dk	(First-principles theory)
	63.20.kd	(Phonon-electron interactions)
	74.20.Fg	(BCS theory and its development)

Fund: Project supported by the Scientific Research Fund of Guilin University of Aerospace Technology, China (Grant No. YJ1410).

Corresponding Authors: Chen Jian-Yong
E-mail: glcjyong@guat.edu.cn

Cite this article:

Chen Jian-Yong (陈建勇), Wang Xing (王星) First-principles verification of CuNNi₃ and ZnNNi₃ as phonon mediated superconductors 2015 Chin. Phys. B 24 086301

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

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