Effect of Pressure on Elastic Constants, Generalized Stacking Fault Energy, and Dislocation Properties in Antiperovskite-Type Ni-Rich Nitrides ZnNNi3 and CdNNi3

Lili Liu, Xiaozhi Wu, Rui Wang, Liyong Gan, Qunyi Wei

Research output: Contribution to journalArticlepeer-review

Abstract

The elastic properties and generalized stacking fault energy curves of antiperovskite-type Ni-rich nitrides MNNi3 (M = Zn, Cd) under different pressure have been obtained from the first-principles calculations. By using the variational method, the core width and Peierls stresses of (Formula presented.) edge dislocation and screw dislocation in ZnNNi3 and CdNNi3 within the improved Peierls-Nabarro (P-N) model in which the lattice discrete effect is taken into account have been investigated. Whatever the material or the pressure range, the Peierls stress of edge dislocation is smaller than that of screw dislocation. This also demonstrates that the edge dislocation is considered to be the dominant factor in determining the plastic behavior of MNNi3 (M = Zn, Cd) in the pressure range of 0–30 GPa.
Original languageEnglish (US)
Pages (from-to)2607-2615
Number of pages9
JournalJournal of Superconductivity and Novel Magnetism
Volume27
Issue number11
DOIs
StatePublished - Jul 31 2014

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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