Optimized structure of SiCxNy–Si(111) interfaces by molecular dynamics simulation

• Autorzy: Gruhn W. , Kityk I.V.
• Języki publikacji: EN

Abstrakty

EN

The SiCxNy films were synthesized using a technique of chemical evaporation at low pressures. Films with thickness varying between 8 and 24 nm and with an N/C ratio between 0.1 and 1.5 were obtained. The stoichiometry of these films was measured after their deposition on Si(111) substrates using an extended X-ray absorption fine structure (EXAFS) method. Distances between C–Si and C–N atoms, as well as the molecular dynamics simulations, were done. A comparison of the experimentally obtained and molecular dynamics optimized geometry structure is done. Exchange-correlation potential within a framework of the local density functional approach gives the similar C–Si and C–N bond distances as with inclusions of the non-local many-body screening potential. At the same time pressure derivatives within the local density approach agree better with experimental data.

• Wydawca: Oficyna Wydawnicza Politechniki Wrocławskiej
• Czasopismo: Optica Applicata
• Rocznik: 2002
• Tom: Vol. 32, nr 3
• Strony: 347--354
• Opis fizyczny: bibliogr. 10 poz.

Twórcy

autor

Gruhn W.

autor

Kityk I.V.

• Intitute of Physics, Pedagogical University, al. Armii Krajowej 13/15, 42-201 Częstochowa