Classical molecular dynamics simulations are used to investigate the 3D evolution of stacking faults (SFs), including the partial dislocation (PD) loops enclosing them, during growth of 3C-SiC layers on Si(001). It is shown that the evolution of single PD loops releasing tensile strain during the initial carbonization stage, commonly preceding 3C-SiC deposition, leads to the formation of experimentally observed V- or Δ-shaped SFs, the key role being played by the differences in the mobilities between Si- and C-terminated PD segments. Nucleation in the adjacent planes of PD loops takes place at later stage of 3C-SiC deposition, when slightly compressive-strain conditions are present. It is shown that such a process very efficiently decreases the elastic energy of the 3C-SiC crystal. The maximum energy decrease is obtained via the formation of triple SFs with common boundaries made up by PD loops yielding a zero total Burgers vector. Obtained results explain the experimentally observed relative abundance of compact microtwin regions in 3C-SiC layers as compared with the other SF-related defects.
Barbisan, L., Sarikov, A., Marzegalli, A., Montalenti, F., & Miglio, L. (2021). Nature and Shape of Stacking Faults in 3C-SiC by Molecular Dynamics Simulations. PHYSICA STATUS SOLIDI B-BASIC RESEARCH.
|Citazione:||Barbisan, L., Sarikov, A., Marzegalli, A., Montalenti, F., & Miglio, L. (2021). Nature and Shape of Stacking Faults in 3C-SiC by Molecular Dynamics Simulations. PHYSICA STATUS SOLIDI B-BASIC RESEARCH.|
|Tipo:||Articolo in rivista - Articolo scientifico|
|Carattere della pubblicazione:||Scientifica|
|Presenza di un coautore afferente ad Istituzioni straniere:||Si|
|Titolo:||Nature and Shape of Stacking Faults in 3C-SiC by Molecular Dynamics Simulations|
|Autori:||Barbisan, L; Sarikov, A; Marzegalli, A; Montalenti, F; Miglio, L|
BARBISAN, LUCA (Corresponding)
|Data di pubblicazione:||2021|
|Rivista:||PHYSICA STATUS SOLIDI B-BASIC RESEARCH|
|Digital Object Identifier (DOI):||http://dx.doi.org/10.1002/pssb.202000598|
|Appare nelle tipologie:||01 - Articolo su rivista|