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Volumn 70, Issue 3, 2004, Pages

Tantalum-fullerene clusters: A first-principles study of static properties and dynamical behavior

Author keywords

[No Author keywords available]

Indexed keywords

COBALT 60; DIMER; FULLERENE; TANTALUM;

EID: 42749105478     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.035411     Document Type: Article
Times cited : (19)

References (66)
  • 4
    • 33646656565 scopus 로고    scopus 로고
    • note
    • The loss of two carbon atoms reduces the number of hexagonal faces in the fullerene molecule by one. See also the note in Ref. 5.
  • 5
    • 33646666327 scopus 로고    scopus 로고
    • note
    • This follows from the definition of a fullerene and the application of Euler's theorem. See also Ref. 6.
  • 9
    • 0027543559 scopus 로고
    • A.M. Rao et al., Science 259, 955 (1993).
    • (1993) Science , vol.259 , pp. 955
    • Rao, A.M.1
  • 10
    • 0026997696 scopus 로고
    • R.F. Curl, Carbon 30, 1149 (1992).
    • (1992) Carbon , vol.30 , pp. 1149
    • Curl, R.F.1
  • 24
    • 33646655270 scopus 로고    scopus 로고
    • note
    • 60 cage fragmentation implies the disruption of the fullerene cage structure itself.
  • 27
    • 0006680473 scopus 로고
    • P. Hohenberg and W. Kohn, Phys. Rev. 136, 3864 (1964); W. Kohn and L.J. Sham, ibid. 140, A1133 (1965).
    • (1964) Phys. Rev. , vol.136 , pp. 3864
    • Hohenberg, P.1    Kohn, W.2
  • 28
    • 0042113153 scopus 로고
    • P. Hohenberg and W. Kohn, Phys. Rev. 136, 3864 (1964); W. Kohn and L.J. Sham, ibid. 140, A1133 (1965).
    • (1965) Phys. Rev. , vol.140
    • Kohn, W.1    Sham, L.J.2
  • 33
    • 4243843432 scopus 로고    scopus 로고
    • The C pseudopotential with the chosen cutoff has been found to yield an excellent description of both structural and dynamical properties in several earlier studies. See, for instance, M. Bernasconi, G.L. Chiarotti, P. Focher, M. Parrinello, and E. Tosatti, Phys. Rev. Lett. 78, 2008 (1997). We thank Paolo Giannozzi for providing us with this C pseudopotential.
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 2008
    • Bernasconi, M.1    Chiarotti, G.L.2    Focher, P.3    Parrinello, M.4    Tosatti, E.5
  • 42
    • 0003925495 scopus 로고
    • Max-Planck-Institut für Festkörperforschung, Stuttgart and IBM Zürich Research Laboratory
    • J. Hutter et al., computer code CPMD, Max-Planck-Institut für Festkörperforschung, Stuttgart and IBM Zürich Research Laboratory, 1995-2004.
    • (1995) Computer Code CPMD
    • Hutter, J.1
  • 50
    • 11944253266 scopus 로고
    • T. Takashi, S. Suzuki, T. Morikawa, H. Katayama-Yoshida, S. Hasegawa, H. Inokuchi, K. Seki, K. Kikuchi, S. Suzuki, K. Ikemoto, and Y. Ichiba, Phys. Rev. Lett. 68, 1232 (1992); R.W. Lof, M.A. Veenendaal, B. Koopmans, H.T. Jonkman, and G.A. Sawatzky, ibid. 68, 3924 (1992); J.H. Weaver, J. Phys. Chem. Solids 53, 1433 (1992).
    • (1992) Phys. Rev. Lett. , vol.68 , pp. 3924
    • Lof, R.W.1    Veenendaal, M.A.2    Koopmans, B.3    Jonkman, H.T.4    Sawatzky, G.A.5
  • 51
    • 0001279667 scopus 로고
    • T. Takashi, S. Suzuki, T. Morikawa, H. Katayama-Yoshida, S. Hasegawa, H. Inokuchi, K. Seki, K. Kikuchi, S. Suzuki, K. Ikemoto, and Y. Ichiba, Phys. Rev. Lett. 68, 1232 (1992); R.W. Lof, M.A. Veenendaal, B. Koopmans, H.T. Jonkman, and G.A. Sawatzky, ibid. 68, 3924 (1992); J.H. Weaver, J. Phys. Chem. Solids 53, 1433 (1992).
    • (1992) J. Phys. Chem. Solids , vol.53 , pp. 1433
    • Weaver, J.H.1
  • 53
    • 33646654728 scopus 로고
    • Ph. D. thesis, D.A.V.V., Indore, India
    • S.V Nair, Ph. D. thesis, D.A.V.V., Indore, India, 1993.
    • (1993)
    • Nair, S.V.1
  • 65


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.