https://doi.org/10.1140/epjb/e2011-20767-7
Regular Article
On the generalized stacking energy, core structure and Peierls
stress of the 
⟨110⟩{110} dislocations in alkali halide
Institute for Structure and Function, Chongqing
University, Chongqing
400044, P.R.
China
a e-mail: xiaozhiwu@cqu.edu.cn
Received:
17
September
2011
Received in final form:
10
December
2011
Published online:
13
February
2012
Using the improved P-N theory in which the lattice discrete effect is taken into
account, the core width and Peierls stress of the
⟨110⟩{110} dislocations in NaCl structure alkali halide have been investigated with the generalized
stacking fault energy calculated by the ab initio calculation. The anisotropic of
elasticity are taken into account while calculation the lattice discrete correction
coefficient and the energy coefficient for dislocations. The discrete effect leads to a
wider dislocation core in the improved P-N theory than that in the P-N theory. The
obtained Peierls stress are in agreement with the existing experimental results. The
predicted Peierls stress for edge dislocations in LiF and NaCl are
0.13 × 10-3μ and 0.46 × 10-3μ,
respectively. The corresponding experimental values are
0.16 × 10-3μ and 0.50 × 10-3μ.
It is also found that the Peierls stress and the anisotropic factor decrease with the
increasing radius of the positive ion for the same negative ion in alkali halide.
Key words: Solid State and Materials
© EDP Sciences, Società Italiana di Fisica and Springer-Verlag, 2012
