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Investigation of Molecular Dynamics of Structural Defects in 4H-SiC Epitaxial Layers

Author: GaoChunYan
Tutor: LiDeChang
School: Xi'an University of Electronic Science and Technology
Course: Condensed Matter Physics
Keywords: 4H-SiC Homoepitaxial Dislocation Molecular Dynamics Simulation
CLC: TN304.24
Type: Master's thesis
Year: 2010
Downloads: 73
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Abstract


4H-SiC material has many advantages over the good properties of the silicon material , has become an international field of new materials and microelectronics and optoelectronics research hotspot . In this paper, the homoepitaxial growth of 4H-SiC material defects . Studied the formation mechanism of the presence of stacking faults in the 4H-SiC epitaxial material , and when the molecular dynamics simulation method for calculating these dislocations . First, the paper describes the relationship between the crystal structure of SiC material , as well as the crystal structure and defect . Details of the type of defect in the SiC epitaxial material , morphology defects and structural defects ; describes the origin , characteristics and device of these defects . Describes the background of the subject , often produce a certain density of dislocations in the epitaxial growth of SiC , the theoretical and experimental needs procure the people study SiC dislocations nature . Second, the characteristics of the molecular dynamics simulation . Molecular dynamics simulations due to its own advantage , to become an effective tool for the study material dislocation . Explain the dislocation theory . Including the elastic field model of dislocations , dislocation classification method , the dislocation force . Explain the calculation method of molecular dynamics . Special attention to select the the popular two kinds of potential functions to explain about the basic principles of molecular dynamics . Parinello-Rahman algorithm , this algorithm allows the boundary changes , so that the molecular simulation can be used to study dislocations movement . Again, the structural defects of 4H-SiC epitaxial materials . Dislocations present in the epitaxial material , the micro- pipe and stacking fault and other structural defects were studied in detail. Also 4H-SiC partial dislocation mechanism of the formation and movement , microtubule morphology and classification . Analysis of the the kink movement the mechanism (REDG mechanism ) using molecular dynamics simulation method validation Si dislocation core partial dislocation in 4H-SiC and C -bit dislocation core obtained in a symmetric recombinant (SRs) Si (g) 30 ° Bureau parts wrong for contribution REDG . After using the molecular dynamics method to study the formation and characteristics of the formation of stacking dislocations in 4H-SiC epitaxial layer dislocation certain practical significance .

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CLC: > Industrial Technology > Radio electronics, telecommunications technology > Semiconductor technology > General issues > Material > Compound semiconductor > Ⅳ - Ⅵ compound semiconductors
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