Gettering Mechanism of Cu in Silicon Calculated from First Principles

Abstract:

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The binding energy between 3d transition metals (TM) such as iron (Fe), nickel (Ni) and copper (Cu), and boron (B) in Si are studied using first-principles molecular dynamics method. The binding energies of between each TM for Fe, Ni, Cu and B are 0.64,0.57,and 0.44eV respectively, and the binding energy of Fe and B is the largest, on the other hand, binding energy of Ni and B is the smallest. This result is well in agreement with the experiment fact that Fe and Cu exist as a positive charge in P+ silicon, so it is easy to combine with the B, which has a negative charge, on the other hand, Ni exists in the state of neutrality electrically in P+ silicon, so it can not combine with B atom.

Info:

Periodical:

Solid State Phenomena (Volumes 108-109)

Edited by:

B. Pichaud, A. Claverie, D. Alquier, H. Richter and M. Kittler

Pages:

115-124

DOI:

10.4028/www.scientific.net/SSP.108-109.115

Citation:

K. Matsukawa et al., "Gettering Mechanism of Cu in Silicon Calculated from First Principles", Solid State Phenomena, Vols. 108-109, pp. 115-124, 2005

Online since:

December 2005

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Price:

$35.00

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