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Volumn 374, Issue 1-3, 1997, Pages 333-344

Vibrational dynamics of the CH stretching mode of H-terminated diamond surfaces

Author keywords

Atomistic dynamics; Computer simulations; Diamond; Low index single crystal surfaces; Models of non linear phenomena; Molecular dynamics; Vibrations of adsorbed molecules

Indexed keywords

COMPUTER SIMULATION; DIAMONDS; HYDROGEN; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; PHONONS; SURFACE STRUCTURE;

EID: 0031100401     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(96)01230-7     Document Type: Article
Times cited : (28)

References (45)
  • 1
    • 25044470926 scopus 로고
    • Proceedings of the 5th European Conference on diamond, diamond-like and related materials, Ciocco, Italy, 1994
    • Proceedings of the 5th European Conference on Diamond, Diamond-like and Related Materials, Ciocco, Italy, 1994, in: Diamond and Related Materials 4, N4-6 (1995).
    • (1995) Diamond and Related Materials , vol.4
  • 30
    • 0024821263 scopus 로고
    • N.L. Allinger, Y.H. Yuh and J.-H. Lii, J. Am. Chem. Soc. 111 (1989) 8551. (We developed our own code for MD simulations of hydrocarbon systems using this reference. Eqs. (1) and (2) in the paper, however, have typographical errors which were corrected through private discussions with N.L. Allinger. The accuracy of our code was checked by computing and comparing the force constants and vibrational frequences of a few hydrocarbon molecules with the standard MM3-92 code, commercially available from QCPE, University of Indiana, Bloomington, IN 47405.)
    • (1989) J. Am. Chem. Soc. , vol.111 , pp. 8551
    • Allinger, N.L.1    Yuh, Y.H.2    Lii, J.-H.3
  • 41
    • 0042531704 scopus 로고    scopus 로고
    • note
    • Strong temperature dependence of multiphonon processes responsible for the decay of vibrational energy was discussed recently for Si surfaces in Refs. [20], [21] and [23].
  • 43
    • 0004270403 scopus 로고
    • Pergamon, Oxford
    • The frequency shift as a function of the vibration amplitude due to the anharmonicity of the CH stretching interaction can be estimated from a simple classical anharmonical oscillator model (see, for example, L.D. Landau and E.M. Lifshitz, Mechanics (Pergamon, Oxford, 1976)).
    • (1976) Mechanics
    • Landau, L.D.1    Lifshitz, E.M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.