Atomistic Simulation of SiC Growth at the SiC(0001)/Si1-XCx Interface by the Monte Carlo Method

Makoto Itoh; Tsuyoshi Uda; Jun Nara; Takahisa Ohno

doi:10.4028/www.scientific.net/MSF.679-680.87

Paper Titles

On the Mechanism of Twin Boundary Elimination in 3C-SiC(111) Heteroepitaxial Layers on α-SiC Substrates
p.71

Chloride Based CVD of 3C-SiC on (0001) α-SiC Substrates
p.75

Analytical Model of Stress Relaxation in 3C SiC Layers on Silicon
p.79

Structural Investigations of a Sputtered Intermediate Carbonization Layer for 3C-SiC on (111) and (110) Si Substrates
p.83

Atomistic Simulation of SiC Growth at the SiC(0001)/Si_1-XC_x Interface by the Monte Carlo Method
p.87

Polarity Control of CVD Grown 3C-SiC on Si(111)
p.91

Epitaxial Growth on 4H-SiC on-Axis, 0.5°, 1.25°, 2°, 4°, 8° Off-Axis Substrates – Defects Analysis and Reduction
p.95

Investigation of the Growth of 3C-SiC on Si by Vapor-Liquid-Solid ( VLS ) Transport
p.99

Geometrical Control of 3C and 6H-SiC Nucleation on Low Off-Axis Substrates
p.103

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Atomistic Simulation of SiC Growth at the SiC(0001)/Si_1-XC_x Interface by the Monte Carlo Method

Abstract:

We developed the computer simulation method to study growth of SiC at the SiC(0001)/Si1-xCx interface based on the Monte Carlo method. Energy is calculated by using the Tersoff potential and the lattice spacing is sub-divided to enable the structural relaxation in a dicrete manner. Before making an attempt for the atomic difusion via the species exchange process in the Metropolis alogrithm, local relaxation is carried out to locate atoms at the local minima of the potential surface. Then, parallel computation is carried out to thermally equilibrate a system.