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Volumn 46, Issue 20, 1992, Pages 13119-13130

Atomic bonding in amorphous hydrogenated silicon carbide alloys: A statistical thermodynamic approach

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Indexed keywords


EID: 0000417667     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.46.13119     Document Type: Article
Times cited : (40)

References (31)
  • 12
    • 84927831752 scopus 로고    scopus 로고
    • Single bond energies E (X-Y) for Si-Si, Si-C, C-C, and Si-H and atom heats of formation H0(X) for Si, C, and H have been obtained using the heats of formation H0 (300 K) of Si, C (diamond), H, SiC, and SiH4 as given in the JANAF Thermochemical Tables, 2nd ed., edited by D. R. Stull and H. R. Prophet (U.S. GPO, Washington, DC, 1971).
  • 13
    • 84927831751 scopus 로고    scopus 로고
    • As pointed out in Ref. 5 of this paper, due to the different electronegativities of Si and C, Si-H bonds can be expected to be stronger in Si-centered tetrahedra containing C atoms, while C-H bonds should be weaker in C-centered tetrahedra containing Si atoms. The FEM can be extended to take these effects into account.
  • 28
    • 84927831749 scopus 로고    scopus 로고
    • Y. Catherine, Ph.D. thesis, 1981, quoted in Ref. 5 of this paper.
  • 30
    • 84927831748 scopus 로고    scopus 로고
    • The predictions of the FEM actually depend only on the difference E(C-H)-E(Si-H) which appears in Ω2 and Ω3; see Eqs. (5) and (6). For example, the FEM can predict the results observed by Mui et al.. (Ref. 4), i.e., N(Si-H)/N(Si)=0.4 and N(C-H)/N(C)=1.3, if either E(C-H) is decreased from 4.60 to 4.20 eV or E(Si-H) is increased from 3.34 to 3.74 eV. Either change corresponds to a decrease of E(C-H)-E(Si-H) from 1.26 to 0.86 eV.


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