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Volumn 70, Issue 4, 2004, Pages

Diamond fragments as building blocks of functional nanostructures

Author keywords

[No Author keywords available]

Indexed keywords

BORON; CARBON; DIAMOND; NITROGEN;

EID: 42749103226     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.045401     Document Type: Article
Times cited : (139)

References (35)
  • 2
    • 0003775169 scopus 로고    scopus 로고
    • Reprinted, edited by J. Robbins (Perseus Books, New York)
    • Presentation of Richard P. Feynman at the annual meeting of the American Physical Society at the California Institute of Technology on December 29, 1959. Reprinted in The Pleasure of Finding Things Out, edited by J. Robbins (Perseus Books, New York, 1999).
    • (1999) The Pleasure of Finding Things Out
  • 19
    • 0000092002 scopus 로고
    • D. M. Eigler and E. K. Schweizer, Nature (London) 344, 524 (1990); J. A. Stroscio and D. M. Eigler, Science 254, 1319 (1991).
    • (1991) Science , vol.254 , pp. 1319
    • Stroscio, J.A.1    Eigler, D.M.2
  • 22
    • 0000730460 scopus 로고    scopus 로고
    • P. Ordejón, E. Artacho, and J. M. Soler, Phys. Rev. B 53, R10441 (2000); D. Sánchez-Portal, P. Ordejón, E. Artacho, and J. M. Soler, Int. J. Quantum Chem. 65, 453 (1997).
    • (2000) Phys. Rev. B , vol.53
    • Ordejón, P.1    Artacho, E.2    Soler, J.M.3
  • 24
    • 33646664029 scopus 로고    scopus 로고
    • note
    • We found a significant energy difference between the presently used double-ζ and the minimum basis set. Based on calculations for the related ethylene molecule, using a triple-ζ basis would change the binding energy per atom by ≲3 meV
  • 29
    • 33646655644 scopus 로고    scopus 로고
    • note
    • To limit the computational effort associated with a large number of degrees of freedom, we kept the atomic arrangement within interacting diamondoids frozen in the optimum geometry when determining the total energy of the interacting system. Due to the suppression of relaxations, our estimates provide only a lower limit on the binding energy.
  • 31
    • 33646660745 scopus 로고    scopus 로고
    • note
    • 2)=-30.54 eV for the total energy of a hydrogen molecule, based on the same computational approach and basis as applied to the diamondoids.
  • 33
    • 33646642892 scopus 로고    scopus 로고
    • note
    • To limit the computational effort, we chose diamantane as a representative of elongated building blocks.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.