2017
DOI: 10.1016/j.jcrysgro.2017.01.006
|View full text |Cite
|
Sign up to set email alerts
|

Study of surface reaction during selective epitaxy growth of silicon by thermodynamic analysis and density functional theory calculation

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
3
1
1

Citation Types

0
6
1

Year Published

2020
2020
2023
2023

Publication Types

Select...
9
1

Relationship

3
7

Authors

Journals

citations
Cited by 14 publications
(7 citation statements)
references
References 20 publications
0
6
1
Order By: Relevance
“…In epitaxial growth of silicon, SiCl 2 was also once suggested as the main growth species, but due to its high desorption rate other species are more likely to be the active ones, 52 while SiCl 2 remains in the gas phase. 53,54 On the basis of these results, in contradiction to most previous assumptions, we conclude that SiCl 2 does not play a positive role in the SiC growth process, but rather acts to keep silicon in the gas phase.…”
Section: Applying the Seven-step Protocolcontrasting
confidence: 92%
“…In epitaxial growth of silicon, SiCl 2 was also once suggested as the main growth species, but due to its high desorption rate other species are more likely to be the active ones, 52 while SiCl 2 remains in the gas phase. 53,54 On the basis of these results, in contradiction to most previous assumptions, we conclude that SiCl 2 does not play a positive role in the SiC growth process, but rather acts to keep silicon in the gas phase.…”
Section: Applying the Seven-step Protocolcontrasting
confidence: 92%
“…35 All geometry optimizations calculations applied the convergence energy tolerance of 10 À6 Ha (1 Hartree = 27.2114 eV), the atomic force of 2 Â 10 À4 Ha Å À1 , the maximum displacement of 0.005 Å, and the self-consistent field tolerance of 10 À6 Ha, as in our previous works. 23,24,[36][37][38] Fig. 1 shows hydroxylated and fluorinated SiO 2 slab models used in this study.…”
Section: Methodsmentioning
confidence: 99%
“…Orbital occupancy was calculated using a smearing value of 9 Â 10 À4 Ha. [65][66][67][68] The effective-core treatment was applied for the surface reaction calculations because the system contains many atoms. The convergence tolerance parameters for geometry optimizations were a total energy difference of 10 À5 Ha and the atomic force of 2 Â 10 À3 Ha Å À1 .…”
Section: Methodsmentioning
confidence: 99%