Aggregation of carbon interstitials in silicon carbide: A theoretical study

2003 ◽  
Vol 68 (12) ◽  
Author(s):  
A. Gali ◽  
P. Deák ◽  
P. Ordejón ◽  
N. T. Son ◽  
E. Janzén ◽  
...  
Keyword(s):  
Silicon Carbide ◽  
Theoretical Study

Theoretical study of intrinsic defects in cubic silicon carbide 3C -SiC

2021 ◽  
Vol 103 (19) ◽  
Author(s):  
Peter A. Schultz ◽  
Renee M. Van Ginhoven ◽  
Arthur H. Edwards
Keyword(s):  
Silicon Carbide ◽  
Theoretical Study ◽  
Intrinsic Defects ◽  
Cubic Silicon Carbide

Theoretical Study of Gas-Phase Thermodynamics Relevant to Silicon Carbide Chemical Vapor Deiposition

1991 ◽  
Vol 250 ◽  
Author(s):  
Mark D. Allendorf ◽  
Carl F. Melius
Keyword(s):  
Silicon Carbide ◽  
Gas Phase ◽  
Theoretical Study ◽  
Chemical Vapor ◽  
Deposition Process ◽  
Equilibrium Calculations

AbstractEquilibrium calculations are reported for conditions typical of silicon carbide (SiC) deposition from mixtures of silane and hydrocarbons. Included are 34 molecules containing both silicon and carbon, allowing an assessment to be made of the importance of organosilicon species (and organosilicon radicals in particular) to the deposition process. The results are used to suggest strategies for improved operation of SiC CVD processes.

scholarly journals Theoretical Study of Carbon Clusters in Silicon Carbide Nanowires

2011 ◽  
Vol 2011 ◽  
pp. 1-8
Author(s):  
J. M. Morbec ◽  
R. H. Miwa
Keyword(s):  
Silicon Carbide ◽  
Theoretical Study ◽  
Binding Energies ◽  
Carbon Clusters ◽  
Sic Nanowires ◽  
Nanowire Surface ◽  
Nanowires Growth ◽  
Carbon Coated ◽  
Favorable Configuration ◽  
Small Clusters

Using first-principles methods we performed a theoretical study of carbon clusters in silicon carbide (SiC) nanowires. We examined small clusters with carbon interstitials and antisites in hydrogen-passivated SiC nanowires growth along the [100] and [111] directions. The formation energies of these clusters were calculated as a function of the carbon concentration. We verified that the energetic stability of the carbon defects in SiC nanowires depends strongly on the composition of the nanowire surface: the energetically most favorable configuration in carbon-coated [100] SiC nanowire is not expected to occur in silicon-coated [100] SiC nanowire. The binding energies of some aggregates were also obtained, and they indicate that the formation of carbon clusters in SiC nanowires is energetically favored.

Nanostructured Carbon Coatings on Silicon Carbide: Experimental and Theoretical Study

2001 ◽  
pp. 239-255 ◽  
Author(s):  
Yury Gogotsi ◽  
Valentin Kamyshenko ◽  
Vladimir Shevchenko ◽  
Sascha Welz ◽  
Daniel A. Ersoy ◽  
...  
Keyword(s):  
Silicon Carbide ◽  
Theoretical Study ◽  
Nanostructured Carbon ◽  
Carbon Coatings

Doping of phosphorus in chemical-vapor-deposited silicon carbide layers: A theoretical study

2005 ◽  
Vol 87 (21) ◽  
pp. 212114 ◽  
Author(s):  
T. Hornos ◽  
A. Gali ◽  
R. P. Devaty ◽  
W. J. Choyke
Keyword(s):  
Silicon Carbide ◽  
Theoretical Study ◽  
Chemical Vapor ◽  
Chemical Vapor Deposited

Theoretical study of phenol adsorption on the (8, 0) silicon carbide nanotube

2011 ◽  
Vol 129 (1) ◽  
pp. 85-92 ◽  
Author(s):  
Jing-xiang Zhao ◽  
Bo Gao ◽  
Qing-hai Cai ◽  
Xiao-guang Wang ◽  
Xuan-zhang Wang
Keyword(s):  
Silicon Carbide ◽  
Theoretical Study ◽  
Phenol Adsorption ◽  
Silicon Carbide Nanotube
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