## Abstract

Miscibility of C in Si _{1-x-y} Ge _{x} C _{y} thin films is systematically investigated by using the empirical interatomic potentials. The empirical potential approach is applied to calculate excess energies for Si _{1-x-y} Ge _{x} C _{y} thin films incorporating interface lattice constraint due to Si(001). In order to compare with experimental results, we employ the content values such as x=0.13, 0.22, 0.27, 0.31, 0.35, and y=0.019. The calculated results imply that the lattice constraint at the interface and Si-C interatomic bond formation dramatically reduce excess energies of Si _{1-x-y} Ge _{x} C _{y} thin films by 20-30% of those in bulk state. Therefore, the lattice constraint promotes C incorporation in Si _{1-x-y} Ge _{x} C _{y} thin films. Furthermore, segregation phenomena of Ge and C atoms in Si _{0.78} Ge _{0.2} C _{0.02} on Si(001) is clarified by Monte Carlo (MC) simulation taking into account surface and interface structures. The simulated results reveal that Ge atoms segregate in the topmost layer and C atoms accumulate in the second layer. These calculated results suggest that the lattice constraint at the interface enhance the miscibility of C in Si _{1-x-y} Ge _{x} C _{y} thin films, whereas the miscibility tends to reduce near the surface because of the segregation of Ge and C atoms.

Original language | English |
---|---|

Pages (from-to) | 458-462 |

Number of pages | 5 |

Journal | Applied Surface Science |

Volume | 216 |

Issue number | 1-4 SPEC. |

DOIs | |

Publication status | Published - Jun 30 2003 |

Externally published | Yes |

## All Science Journal Classification (ASJC) codes

- Condensed Matter Physics
- Surfaces, Coatings and Films
- Surfaces and Interfaces

## Fingerprint

Dive into the research topics of 'Systematic theoretical investigations of miscibility in Si_{1-x-y}Ge

_{x}C

_{y}thin films'. Together they form a unique fingerprint.