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Ab initio calculation of As-vacancy deactivation and interstitial-mediated As diffusion in strained Si

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3 Author(s)
Yonghyun Kim ; Microelectronics Research Center, The University of Texas at Austin, Austin, TX 78758, USA. Email: ; Gyeong Hwang ; Sanjay K. Banerjee

We investigate As-vacancy deactivation and interstitial-mediated As diffusion in strained Si by using density functional theory calculation. First, we find that biaxial tensile strain will not have a significant effect on the binding energies of As-vacancies. Second, tensile strain increases the stability of the diffusing As-Sii pairs. Our results could be one of the reasons that explain why As activation/deactivation and interstitial-mediated As TED has a weak dependence on biaxial tensile strain experimentally

Published in:

2006 International Conference on Simulation of Semiconductor Processes and Devices

Date of Conference:

6-8 Sept. 2006