Molecular dynamics simulations of solid-phase epitaxy of Si: Defect formation processes

2001 ◽  
Vol 64 (19) ◽  
Author(s):  
Shinji Munetoh ◽  
Koji Moriguchi ◽  
Akira Shintani ◽  
Ken Nishihira ◽  
Teruaki Motooka
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Defect Formation ◽  
Solid Phase ◽  
Formation Processes ◽  
Solid Phase Epitaxy ◽  
Dynamics Simulations

Molecular Dynamics Simulations of Solid Phase Epitaxy of Si:Growth Mechanism and Defect Formation

1999 ◽  
Vol 584 ◽  
Author(s):  
T. Motooka ◽  
S. Munetoh ◽  
K. Nisihira ◽  
K. Moriguchi ◽  
A. Shintani
Keyword(s):  
Molecular Dynamics ◽  
Temperature Region ◽  
Defect Formation ◽  
Solid Phase ◽  
Md Simulations ◽  
Solid Phase Epitaxy ◽  
Rate Limiting Step ◽  
Limiting Step ◽  
Dynamics Simulations ◽  
Rate Limiting

AbstractWe have investigated crystal growth and defect formation processes during solid phase epitaxy (SPE) of Si in the [001] direction based on molecular dynamics (MD) simulations using the Tersoff potential. From the Arrhenius plot of the growth rates obtained by MD simulations, we have found that the activation energy of SPE at lower temperatures is in good agreement with the experimental value, approximately 2.7 eV, while it becomes lower at higher temperatures. This can be attributed to the difference in the amorphous/crystalline (a/c) interface structure. In the low temperature region, the a/c interface is essentially (001) and the rate-limiting step is two-dimensional nucleation on the (001) a/c interface. On the other hand, the a/c interface becomes rough due to (111) facets formation in the high temperature region and the rate-limiting step is presumably a diffusion process of Si to be trapped at the kink sites associated with these facets. Defect formation is found to be initiated by 5-membered rings created at the a/c interface. These mismatched configurations at the interface give rise to (111) stacking faults during further SPE growth.

Molecular-dynamics simulations of solid-phase epitaxy of Si: Growth mechanisms

2000 ◽  
Vol 61 (12) ◽  
pp. 8537-8540 ◽  
Author(s):  
T. Motooka ◽  
K. Nisihira ◽  
S. Munetoh ◽  
K. Moriguchi ◽  
A. Shintani
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Solid Phase ◽  
Solid Phase Epitaxy ◽  
Growth Mechanisms ◽  
Dynamics Simulations

Molecular-Dynamics Simulations of Recrystallization Processes in Silicon: Nucleation and Crystal Growth in the Solid-Phase and Melt

2019 ◽  
Vol 3 (8) ◽  
pp. 207-213
Author(s):  
Teruaki Motooka ◽  
Shinji Munetoh ◽  
Ryuzo Kishikawa ◽  
Takahide Kuranaga ◽  
Tomohiko Ogata ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Crystal Growth ◽  
Molecular Dynamics Simulations ◽  
Solid Phase ◽  
Dynamics Simulations
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