Bulg. J. Phys. vol.30 no.1-2 (2003), pp. 31-44



Strain Field Due to Transition Metal Impurities in Cu

H. Sharma1, S. Prakash2
1Department of Physics, Punjab University Chandigarh, 160014 India
2Jiwaji University, Gwalior M.P. 474011 India
Abstract. The strain field due to body centered substitutional transition metal impurities in Cu metal are investigated. The calculations are carried out in the discrete lattice model using Kanzaki lattice static method. The effective ion-ion interaction potential due to Wills and Harrison is used to evaluate dynamical matrix and the impurity-induced forces. The results for atomic displacements due to 3d, 4d and 5d impurities (Co, Ni, Pd, Ag, Pt and Au) in Cu are given up to 20 NN's of impurity and these are compared with the available experimental data which are found in agreement. The lattice shows expansion due to Co, Pd, Ag, Pt and Au impurities and contraction due to Ni impurity. The maximum displacements of 2.3% of INN distance are found for CuAu alloy respectively, while the minimum displacements of 0.43% of INN distance are found for CuNi alloy respectively. The relaxation energies for Ni and Pd impurities are found less than others impurities in Cu, therefore these impurities may easily be solvable in Cu.

Full-text: PDF

go back