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Volumn 89, Issue 3, 2002, Pages

Bonding in Cu, Ag, and Au Clusters: Relativistic Effects, Trends, and Surprises

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; BINDING ENERGY; BONDING; COPPER; ELECTRIC CHARGE; ELECTRONIC STRUCTURE; GOLD; GROUND STATE; IONS; ISOMERS; KINETIC ENERGY; NANOSTRUCTURED MATERIALS; PHASE TRANSITIONS; PHOTOELECTRON SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; SILVER;

EID: 0037100924     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.89.033401     Document Type: Article
Times cited : (628)

References (26)
  • 14
    • 85038333538 scopus 로고    scopus 로고
    • S. Burkart, Ph.D. thesis, University of Konstanz, 2000; G. Ganteför (private communication).
    • (2000)
    • Burkart, S.1
  • 15
    • 85038279576 scopus 로고    scopus 로고
    • S. Gilb, Ph.D. thesis, University of Karslruhe, 2001; F. Furche (to be published).
    • (2001)
    • Gilb, S.1
  • 17
    • 85038329864 scopus 로고    scopus 로고
    • light of recent mobility and optical experiments on (Formula presented) clusters
    • In light of recent mobility and optical experiments on (Formula presented) clusters
  • 18
    • 85038340176 scopus 로고    scopus 로고
    • The energy difference in terms of temperature is calculated as (Formula presented)
    • The energy difference in terms of temperature is calculated as (Formula presented).
  • 19
    • 0001496730 scopus 로고
    • R. N. Barnett and U. Landman, Phys. Rev. B 48, 2081 (1993). We have verified by GGA local-spin-density calculation that the spin singlet ( (Formula presented)) is the ground state for the low-energy structures of the metal anionic heptamer clusters.
    • (1993) Phys. Rev. B , vol.48 , pp. 2081
    • Barnett, R.N.1    Landman, U.2
  • 20
    • 33645426115 scopus 로고
    • N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991). The core radii (in units of (Formula presented)) are as follows: Cu: (Formula presented); Ag: (Formula presented); and Au: (Formula presented), with (Formula presented) as the local component. The plane wave cutoff energy is 90.6 Ry for Cu and 61.7 Ry for Ag and Au. For further information about the scalar-relativistic pseudopotentials that we used, see citation 11
    • (1991) Phys. Rev. B , vol.43 , pp. 1993
    • Troullier, N.1    Martins, J.L.2
  • 25
    • 0000046102 scopus 로고
    • For an early study of the strong relativistic effect on the surface reconstruction of gold, see N. Takeuchi, Phys. Rev. B 43, 14 363 (1991).
    • (1991) Phys. Rev. B , vol.43 , pp. 14-363
    • Takeuchi, N.1
  • 26
    • 0034318472 scopus 로고    scopus 로고
    • Our results on the structures and saturation coverages of planar (Formula presented) carbonyls with (Formula presented) and (Formula presented) and their correlations with mass spectrometric experiments [W. T. Wallace and R. L. Whetten, J. Phys. Chem. B 104, 10 964 (2000)], as well as their CO binding energies, PES, and vibrational spectra, will be reported elsewhere.
    • (2000) J. Phys. Chem. B , vol.104 , pp. 10-964
    • Wallace, W.T.1    Whetten, R.L.2


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