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

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    Type
    Article
    Authors
    Liu, Lili
    Wu, Xiaozhi
    Wang, Rui
    Gan, Liyong
    Wei, Qunyi
    KAUST Department
    Physical Science and Engineering (PSE) Division
    Date
    2014-07-31
    Online Publication Date
    2014-07-31
    Print Publication Date
    2014-11
    Permanent link to this record
    http://hdl.handle.net/10754/563662
    
    Metadata
    Show full item record
    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.
    Citation
    Liu, L., Wu, X., Wang, R., Gan, L., & Wei, Q. (2014). Effect of Pressure on Elastic Constants, Generalized Stacking Fault Energy, and Dislocation Properties in Antiperovskite-Type Ni-Rich Nitrides ZnNNi3 and CdNNi3. Journal of Superconductivity and Novel Magnetism, 27(11), 2607–2615. doi:10.1007/s10948-014-2628-7
    Sponsors
    The work is supported by the Natural Science Foundation of China (11104361), State Key Laboratory of Coal Mine Disaster Dynamics and Control in Chongqing University (2011DA105287FW201210), and the Fundamental Research Funds for the Central Universities (CDJZR14328801 & CQDXWL2014003).
    Publisher
    Springer Nature
    Journal
    Journal of Superconductivity and Novel Magnetism
    DOI
    10.1007/s10948-014-2628-7
    ae974a485f413a2113503eed53cd6c53
    10.1007/s10948-014-2628-7
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division

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