Strain field due to transition-metal impurities in Fe

2003 ◽  
Vol 81 (6) ◽  
pp. 847-859 ◽  
Author(s):  
H Sharma ◽  
S Prakash
Keyword(s):  
Transition Metal ◽  
Strain Field ◽  
Nearest Neighbor ◽  
Nearest Neighbors ◽  
Dynamical Matrix ◽  
Relaxation Energy ◽  
Metal Impurities ◽  
Atomic Displacements ◽  
Transition Metal Impurities ◽  
3D Impurities

The Kanzaki lattice static method is used to calculate the strain field due to substitutional transition-metal impurities in Fe. The effective ion–ion interaction potential due to Wills and Harrison is used to calculate the dynamical matrix and the impurity-induced force up to second nearest neighbor of impurity. The atomic displacements due to 3d, 4d, and 5d substitutional transition-metal impurities (Cr, Mn, Ni, Cu, Nb, Mo, W, and Pt ) are calculated up to 24 nearest neighbors. The displacements are minimum for 3d impurities Cr and Mn and maximum for 4d impurity Nb. A similar trend is found in the calculated relaxation energy also. The calculated values are in qualitative agreement with the available experimental data.

ATOMIC DISPLACEMENTS DUE TO POINT DEFECTS IN Ni DILUTE ALLOYS

2003 ◽  
Vol 17 (12) ◽  
pp. 2417-2428 ◽  
Author(s):  
HITESH SHARMA ◽  
S. PRAKASH
Keyword(s):  
Point Defects ◽  
Strain Field ◽  
Static Method ◽  
Embedded Atom Method ◽  
Relaxation Energy ◽  
Dilute Alloys ◽  
Metal Impurities ◽  
Embedded Atom ◽  
Atomic Displacements ◽  
Transition Metal Impurities

The Embedded atom method has been used to investigate the strain field due to substitutional transition metal impurities in Ni. The calculations are carried out in the discrete lattice model of the metal using Kanzaki lattice static method. The results for atomic displacements due to 3d, 4d and 5d impurities (Cu, Pd, Pt and Au) in Ni are given up to 20 NN's of impurity and are compared with the earlier calculations and with the available experimental data. The maximum displacements of 3.6% of 1NN distance are found for NiAu, while the minimum displacements of 0.78% of 1NN distance are found for NiCu alloy respectively. The relaxation energy for Cu are found less than those for Pd, Au and Pt impurities in the Ni host.

Strain field due to transition metal impurities in Ni and Pd

Pramana ◽  
2003 ◽  
Vol 60 (1) ◽  
pp. 123-141
Author(s):  
Hitesh Sharma ◽  
S. Prakash
Keyword(s):  
Transition Metal ◽  
Strain Field ◽  
Metal Impurities ◽  
Transition Metal Impurities

Electrical and optical properties of p-GaN films implanted with transition metal impurities

2005 ◽  
Vol 2 (7) ◽  
pp. 2520-2524 ◽  
Author(s):  
A.Y. Polyakov ◽  
N.B. Smirnov ◽  
A.V. Govorkov ◽  
Rohit Khanna ◽  
S.J. Pearton
Keyword(s):  
Optical Properties ◽  
Transition Metal ◽  
Electrical And Optical Properties ◽  
Metal Impurities ◽  
Transition Metal Impurities

Diffusion of transition-metal impurities in silicon

2007 ◽  
Vol 401-402 ◽  
pp. 151-154 ◽  
Author(s):  
K. Matsukawa ◽  
K. Shirai ◽  
H. Yamaguchi ◽  
H. Katayama-Yoshida
Keyword(s):  
Transition Metal ◽  
Metal Impurities ◽  
Transition Metal Impurities
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