Diffusion Study of Chlorine in SiC by First Principles Calculations

Giovanni  Alfieri; Tsunenobu Kimoto

doi:10.4028/www.scientific.net/MSF.740-742.381

Paper Titles

An Extended EDMR Setup for SiC Defect Characterization
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Comparative Analysis of Defect Formation in Silicon Carbide under Electron and Proton Irradiation
p.369

Deep Levels in P-Type 4H-SiC Induced by Low-Energy Electron Irradiation
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Determination of the Electrical Capture Process of the EH₆-Center in n-Type 4H-SiC
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Diffusion Study of Chlorine in SiC by First Principles Calculations
p.381

Electron Paramagnetic Resonance Studies of Nb in 6H-SiC
p.385

EPR Study of the Nitrogen Containing Defect Center Created in Self-Assembled 6H SiC Nanostructure
p.389

Kinetic Monte Carlo Simulation of Impurity Effects on Nucleation and Growth of SiC Clusters on Si(100)
p.393

Lateral Boron Distribution in Polycrystalline SiC Source Materials
p.397

HomeMaterials Science ForumMaterials Science Forum Vols. 740-742Diffusion Study of Chlorine in SiC by First...

Diffusion Study of Chlorine in SiC by First Principles Calculations

Abstract:

Using first-principles calculations, we investigated the migration mechanisms of Cl in cubic SiC. The analysis of the formation energies of several defect configurations (isolated interstitials and complex defects), either reported in the literature or calculated in the present study, revealed that three migration mechanisms are possible: Interstitialcy and two different vacancy-mediated mechanisms (both concerted exchange and second-neighbor hop). Our calculations showed that vacancy-mediated diffusion is more energetically favorable than an intersticialcy one and the values of the diffusivity, for both n-type and p-type SiC were also estimated.

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Silicon Carbide and Related Materials 2012

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Periodical:

Materials Science Forum (Volumes 740-742)

Pages:

381-384

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.740-742.381

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Online since:

January 2013

Authors:

Giovanni Alfieri, Tsunenobu Kimoto

Keywords:

3C-SiC, Chlorine, Density Function Theory (DFT), Diffusion

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