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Volumn 81, Issue 22, 2002, Pages 4233-4235

Modeling of Si 2p core-level shifts at Si-(ZrO2)x(SiO2)1-x interfaces

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS MATERIALS; BINDING ENERGY; COMPUTER SIMULATION; INTERFACES (MATERIALS); MOLECULAR DYNAMICS; ZIRCONIUM;

EID: 0037175957     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1526172     Document Type: Article
Times cited : (19)

References (30)
  • 2
    • 0033600266 scopus 로고    scopus 로고
    • D.A. Muller, T. Sorsch, S. Moccio, F.H. Baumann, K. Evans-Lutterodt, and G. Timp, Nature (London) 399, 758 (1999); M. Schulz, ibid. 399, 729 (1999).
    • (1999) Nature (London) , vol.399 , pp. 729
    • Schulz, M.1
  • 19
    • 0000886539 scopus 로고    scopus 로고
    • A. Pasquarello, M.S. Hybertsen, and R. Car, Phys. Rev. Lett. 74, 1024 (1995); Phys. Rev. B 53, 10942 (1996).
    • (1996) Phys. Rev. B , vol.53 , pp. 10942
  • 23
    • 0012073473 scopus 로고    scopus 로고
    • note
    • p-4 clusters (with p=4,..8), the Zr-O bond lengths increase with p: from 1.96 to 2.08 Å for valence bonds, from 2.39 to 2.48 Å, for dative bonds.
  • 24
    • 0003030173 scopus 로고    scopus 로고
    • edited by H.Z. Massoud, I. Baumvol, M. Hirose, and E. Poindexter (Electrochemical Society, Penningtion, NJ)
    • 2 Interface-4, edited by H.Z. Massoud, I. Baumvol, M. Hirose, and E. Poindexter (Electrochemical Society, Penningtion, NJ, 2000), p. 271; A. Pasquarello, M.S. Hybertsen, and R. Car, Nature (London) 396, 58 (1998).
    • (2000) 2 Interface-4 , pp. 271
    • Pasquarello, A.1    Hybertsen, M.S.2
  • 25
    • 0032487957 scopus 로고    scopus 로고
    • 2 Interface-4, edited by H.Z. Massoud, I. Baumvol, M. Hirose, and E. Poindexter (Electrochemical Society, Penningtion, NJ, 2000), p. 271; A. Pasquarello, M.S. Hybertsen, and R. Car, Nature (London) 396, 58 (1998).
    • (1998) Nature (London) , vol.396 , pp. 58
    • Pasquarello, A.1    Hybertsen, M.S.2    Car, R.3
  • 27
    • 0012099655 scopus 로고    scopus 로고
    • note
    • We attribute the small differences to substrate screening effects associated to the ultrathin oxide in our model. Since the thickness of Zr silicate films is generally much larger, we neglected such effects in this work.
  • 30
    • 0012093641 scopus 로고    scopus 로고
    • note
    • Coordination numbers are defined by cutoff distances of 1.8 Å, for Si-O and 2.8 Å for Zr-O, corresponding to the first minimum in the pair correlation functions.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.