Mechanism of stacking fault annihilation in 3C-SiC epitaxially grown on Si(001) by molecular dynamics simulations
- 4 January 2021
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in CrystEngComm
- Vol. 23 (7), 1566-1571
- https://doi.org/10.1039/d0ce01613f
Abstract
In this work, annihilation mechanism of stacking faults (SFs) in epitaxial 3C-SiC layers grown on Si(001) substrates is studied by molecular dynamics (MD) simulations. The evolution of SFs located in the crossing (1 @#x0305;11) and (11 @#x0305;1) glide planes is considered. This evolution is determined by the interaction of 30° leading partial dislocations (PDs) limiting the stacking faults, under the slightly compressive (~ 0.45 %) strain condition during 3C-SiC layer growth. It is characterized in key terms: the distance between the PDs and the mutual orientation of their Burgers vectors. Two SF annihilation scenarios are revealed, namely: (i) the PDs with opposite screw components of their Burgers vectors, leading the SFs located in the (1 @#x0305;11) and (11 @#x0305;1) planes, are close enough (~ 15 nm or less) and attract each other, in this case, the propagation of both SFs is suppressed with the formation of a Lomer-Cottrell lock at their intersection, and (ii) two PDs are far away one from the other (beyond ~ 15 nm) and do not interact, or they repulse each other having equal screw components of their Burgers vectors, in this case the propagation of only one of the SFs is suppressed. Obtained results explain the mechanism of SF annihilation and formation of SF intersection patterns observed experimentally by TEM investigations. They will provide important implications for the elaboration of advanced methods for the reduction of SF concentrations in epitaxial 3C-SiC layers on Si substrates.Keywords
Funding Information
- H2020 LEIT Advanced Materials (720827)
This publication has 31 references indexed in Scilit:
- The origin and nature of killer defects in 3C-SiC for power electronic applications by a multiscale atomistic approachJournal of Materials Chemistry C, 2020
- Generation and Termination of Stacking Faults by Inverted Domain Boundaries in 3C-SiCCrystal Growth & Design, 2020
- Impact of Stacking Faults and Domain Boundaries on the Electronic Transport in Cubic Silicon Carbide Probed by Conductive Atomic Force MicroscopyAdvanced Electronic Materials, 2020
- From thin film to bulk 3C-SiC growth: Understanding the mechanism of defects reductionMaterials Science in Semiconductor Processing, 2018
- Evidence of electrical activity of extended defects in 3C–SiC grown on SiApplied Physics Letters, 2010
- Thermal detection mechanism of SiC based hydrogen resistive gas sensorsApplied Physics Letters, 2006
- High-Temperature Single-Crystal 3C-SiC Capacitive Pressure SensorIEEE Sensors Journal, 2004
- Silicon carbide for microelectromechanical systemsInternational Materials Reviews, 2000
- Intrinsic SiC/SiO2 Interface Statesphysica status solidi (a), 1997
- SiC devices: physics and numerical simulationIEEE Transactions on Electron Devices, 1994