Density-Functional Calculation of Carbon-Interstitial Energies in a 4H-SiC(0001)-SiO2 Interface

Jörg Lehmann

doi:10.4028/www.scientific.net/MSF.858.253

Paper Titles

Mitigation of BPD by Pre-Epigrowth High Temperature Substrate Annealing
p.233

In Situ Cleaning Process of Silicon Carbide Epitaxial Reactor for Removing Film-Type Deposition Formed on Susceptor
p.237

Determination of 4H-SiC Ionization Rates Using OBIC Based on Two-Photon Absorption
p.245

Electrical Transport Properties of Highly Aluminum Doped p-Type 4H-SiC
p.249

Density-Functional Calculation of Carbon-Interstitial Energies in a 4H-SiC(0001)-SiO₂ Interface
p.253

Identifying Performance Limiting Defects in Silicon Carbide pn-Junctions: A Theoretical Study
p.257

Investigation of Mo Defects in 4H-SiC by Means of Density Functional Theory
p.261

Magnetic Field Sensing with Atomic Scale Defects in SiC Devices
p.265

Photoluminescence of 10H-SiC
p.269

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Density-Functional Calculation of Carbon-Interstitial Energies in a 4H-SiC(0001)-SiO₂ Interface

Abstract:

An atomistic model for an abrupt 4H-SiC(0001)-SiO₂ interface is constructed. By means of density-functional calculations within the local-density approximation, the energy landscape of a carbon interstitial in this structure is investigated and estimates for the diffusion barriers within bulk SiC and the energy difference between interstitial positions in the bulk semiconductor and the amorphous oxide are extracted both for the neutral defect and two charge states. The electronic structure of the neutral defect in its energetically most favorable position is analyzed by means of a hybrid exchange-functional calculation.

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Materials Science Forum (Volume 858)

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253-256

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.858.253

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Online since:

May 2016

Authors:

Jörg Lehmann*

Keywords:

Defects, Density Functional Theory, Diffusion, MOSFET, Semiconductor-Oxide Interface, Silicon Carbide (SiC), SiO₂

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