TY - JOUR
T1 - Effect of Pressure on Elastic Constants, Generalized Stacking Fault Energy, and Dislocation Properties in Antiperovskite-Type Ni-Rich Nitrides ZnNNi3 and CdNNi3
AU - Liu, Lili
AU - Wu, Xiaozhi
AU - Wang, Rui
AU - Gan, Liyong
AU - Wei, Qunyi
N1 - KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: 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).
PY - 2014/7/31
Y1 - 2014/7/31
N2 - 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.
AB - 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.
UR - http://hdl.handle.net/10754/563662
UR - http://link.springer.com/10.1007/s10948-014-2628-7
UR - http://www.scopus.com/inward/record.url?scp=84912032757&partnerID=8YFLogxK
U2 - 10.1007/s10948-014-2628-7
DO - 10.1007/s10948-014-2628-7
M3 - Article
SN - 1557-1939
VL - 27
SP - 2607
EP - 2615
JO - Journal of Superconductivity and Novel Magnetism
JF - Journal of Superconductivity and Novel Magnetism
IS - 11
ER -