Effects of Sulfur Passivation on 6H-SiC(0001) Surface and Si/6H-SiC Interface

Xiao Min He; Zhi Ming Chen; Lian Bi Li

doi:10.4028/www.scientific.net/MSF.858.185

Paper Titles

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Analysis and Reduction of Stacking Faults in Fast Epitaxial Growth
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Design of Silicon Carbide Devices to Minimize the Impact of Variation of Epitaxial Parameters
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Effect of H₂ Carrier Gas on CVD Growth Rate for 4H-SiC Trench Filling
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Effects of Sulfur Passivation on 6H-SiC(0001) Surface and Si/6H-SiC Interface
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Elimination of BPD in 5~30um Thick 4H-SiC Epitaxial Layers Grown in a Warm-Wall Planetary Reactor
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Hydrogen Flux Influence on Homo-Epitaxial 4H-SiC Doping Concentration Profile for High Power Application
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Improvement on 150 mm 4H-SiC Epitaxial Wafer Quality
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HomeMaterials Science ForumMaterials Science Forum Vol. 858Effects of Sulfur Passivation on 6H-SiC(0001)...

Effects of Sulfur Passivation on 6H-SiC(0001) Surface and Si/6H-SiC Interface

Abstract:

The un-passivated and passivated 6H-SiC(0001) surface and Si(-220)/6H–SiC (0001) interface are investigated by first-principles calculation based on density functional theory. It is demonstrated that the surface energy of 6H-SiC(0001) surface with seven atom-layers converges well. When the surface is passivated with sulfur(S), the density of states decreases obviously, implying that the passivated 6H-SiC(0001) surface are more stable. Four specific geometry models of Si(-220)/6H–SiC(0001) interface structures with different terminations are chosen. The calculated adhesion energies suggest that, for un-passivated interface, the atomic binding force and interface stability of C-termination interface are stronger than Si-termination interface, while for passivated interface, the tendency is opposite. The calculations about the density of states of un-passivated interfacial suggest that the Si-Si covalent bonds are formed at Si-terminated interface, and that C-Si covalent bonds are formed at C-terminated interface. After the interface is passivated with S atoms, the interaction between Si and S atoms is observed.

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Materials Science Forum (Volume 858)

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185-188

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https://doi.org/10.4028/www.scientific.net/MSF.858.185

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Online since:

May 2016

Authors:

Xiao Min He*, Zhi Ming Chen, Lian Bi Li

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Adhesion Energy, Bond Population, Charge Population, Density of States, First-Principles Calculations

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