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Barrier to Migration of the Intrinsic Defects in Silicon in Different Charged System Using First-principles Calculations

Published online by Cambridge University Press:  01 February 2011

Jinyu Zhang*
Affiliation:
Fujitsu R&D Center Co. Ltd, Room B1003, Eagle Run Plaza No.26 Xiaoyun Road, Chaoyang District Beijing, China Yoshio Ashizawa and Hideki Oka Fujitsu Laboratories Ltd. 50 Fuchigami, Akiruno, Tokyo, 197-0833, Japan
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Abstract

Using density functional theory (DFT) calculations within the generalized gradient approximation (GGA), we have investigated the structure, energies and diffusion behavior of Si defects including interstitial, vacancy, FFCD and divacancy in various charged states.

Type
Research Article
Copyright
Copyright © Materials Research Society 2005

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