Strain field due to transition metal impurities in Ni and Pd |
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Authors: | Hitesh Sharma S Prakash |
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Institution: | (1) Department of Physics, Panjab University, 160 014 Chandigarh, India;(2) Jiwaji University, 474 011 Gwalior, India |
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Abstract: | The strain field due to body centered substitutional transition metal impurities in Ni and Pd metals are investigated. The
calculations are carried out in the discrete lattice model of the metal 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 (Fe, Co, Cu, Nb, Mo, Pd, Pt and Au) in Ni and (Fe, Co,
Cu, Ni, Nb, Mo, Pt and Au) impurities in Pd are given up to 25 NN’s of impurity and these are compared with the available
experimental data. The maximum displacements of 4.6% and 3.8% of 1NN distance are found for NiNb and PdNb alloys respectively,
while the minimum displacements of 0.63% and 0.23% of 1NN distance are found for NiFe and PdFe alloys respectively. Except
for Cu, the atomic displacements are found to be proportional to the core radii and d state radius. The relaxation energies
for 3d impurities are found less than those for 4d and 5d impurities in Ni and Pd metals. Therefore, 3d impurities may easily
be solvable in these metals. |
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Keywords: | Strain field point defects transition metal based dilute alloys |
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