메뉴 건너뛰기




Volumn 9, Issue 1-4, 1999, Pages 95-104

Structures and spectra of gold nanoclusters and quantum dot molecules

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; GOLD; MOLECULES; NANOCLUSTERS; NANOCRYSTALS; SEMICONDUCTOR QUANTUM DOTS; SPIN POLARIZATION;

EID: 0033472840     PISSN: 14346060     EISSN: None     Source Type: Journal    
DOI: 10.1007/PL00010958     Document Type: Article
Times cited : (65)

References (70)
  • 1
    • 0003267575 scopus 로고
    • Clusters of atoms and molecules
    • Springer, Berlin
    • H. Haberland (Ed.): Clusters of Atoms and Molecules, Springer Series in Chemical Physics 52 and 57 (Springer, Berlin 1994)
    • (1994) Springer Series in Chemical Physics , vol.52-57
    • Haberland, H.1
  • 5
  • 6
    • 0000001145 scopus 로고    scopus 로고
    • R. Ashoori: Nature 379, 413 (1996)
    • (1996) Nature , vol.379 , pp. 413
    • Ashoori, R.1
  • 9
  • 11
    • 0031189054 scopus 로고    scopus 로고
    • C. Yannouleas, U. Landman: J. Phys. Chem. B 101, 5780 (1997); C. Yannouleas, E.N. Bogachek, U. Landman: Phys. Rev. B 57, 4872 (1998)
    • (1997) J. Phys. Chem. B , vol.101 , pp. 5780
    • Yannouleas, C.1    Landman, U.2
  • 13
    • 0030143162 scopus 로고    scopus 로고
    • (a) R.L. Whetten et al.: Adv. Mater. 5, 428 (1996); and in W. Andreoni (Ed.): Chemical Physics of Fullerenes 5 and 10 Years Later (Kluwer, Dordrecht 1996) pp. 475-490;
    • (1996) Adv. Mater. , vol.5 , pp. 428
    • Whetten, R.L.1
  • 17
    • 0030217558 scopus 로고    scopus 로고
    • (c) W.D. Luedtke, U. Landman: J. Phys. Chem. 100, 13 323 (1996); ibid: J. Phys. Chem. B 102, 6566 (1998);
    • (1996) J. Phys. Chem. , vol.100 , pp. 13323
  • 18
    • 0008995616 scopus 로고    scopus 로고
    • (c) W.D. Luedtke, U. Landman: J. Phys. Chem. 100, 13 323 (1996); ibid: J. Phys. Chem. B 102, 6566 (1998);
    • (1998) J. Phys. Chem. B , vol.102 , pp. 6566
  • 20
    • 0032568887 scopus 로고    scopus 로고
    • and references to earlier work therein
    • S. Chen et al.: Science 280, 2098 (1998), and references to earlier work therein
    • (1998) Science , vol.280 , pp. 2098
    • Chen, S.1
  • 26
    • 33751386620 scopus 로고
    • Our analysis, based on atomistic energy minimization, is essentially parameter-free and should be contrasted with multi-parameter data-fitting procedures using guessed structures including weighted distributions of cluster sizes with differing structural and morphological motifs [see e.g., W. Vogel, B. Rosner, B. Tesche: J. Phys. Chem. 97, 11 611 (1993)]
    • (1993) J. Phys. Chem. , vol.97 , pp. 11611
    • Vogel, W.1    Rosner, B.2    Tesche, B.3
  • 28
    • 0000487379 scopus 로고
    • 0, are (a tilde indicates a local component): Au: ̃(2.50), p(3.00), d(2.00); S: s(1.80), p̃(2.30); C: s(1.50), p̃(1.54); H: s̃(0.95). The Au pseudopotential is relativistic and has been weighted averaged by the j degeneracy of the l ± 1/2 states [see L. Kleinman: Phys. Rev. B 21, 2630 (1980); G.B. Bachelet, M Schlüter: Phys. Rev. B 25, 2103 (1982)]
    • (1980) Phys. Rev. B , vol.21 , pp. 2630
    • Kleinman, L.1
  • 29
    • 0001483636 scopus 로고
    • 0, are (a tilde indicates a local component): Au: ̃(2.50), p(3.00), d(2.00); S: s(1.80), p̃(2.30); C: s(1.50), p̃(1.54); H: s̃(0.95). The Au pseudopotential is relativistic and has been weighted averaged by the j degeneracy of the l ± 1/2 states [see L. Kleinman: Phys. Rev. B 21, 2630 (1980); G.B. Bachelet, M Schlüter: Phys. Rev. B 25, 2103 (1982)]
    • (1982) Phys. Rev. B , vol.25 , pp. 2103
    • Bachelet, G.B.1    Schlüter, M.2
  • 34
    • 0000752475 scopus 로고
    • L.P. Kouwenhoven: Science 268, 1440 (1995); F.R. Waugh et al.: Phys. Rev. Lett. 75, 705 (1995); N.C. van der Waart et al.: Phys. Rev. Lett. 74, 4702 (1995); R.H. Blick et al.: Phys. Rev. Lett. 80, 4032 (1998) and Phys. Rev. B 53, 7899 (1996)
    • (1995) Science , vol.268 , pp. 1440
    • Kouwenhoven, L.P.1
  • 35
    • 11744290344 scopus 로고
    • L.P. Kouwenhoven: Science 268, 1440 (1995); F.R. Waugh et al.: Phys. Rev. Lett. 75, 705 (1995); N.C. van der Waart et al.: Phys. Rev. Lett. 74, 4702 (1995); R.H. Blick et al.: Phys. Rev. Lett. 80, 4032 (1998) and Phys. Rev. B 53, 7899 (1996)
    • (1995) Phys. Rev. Lett. , vol.75 , pp. 705
    • Waugh, F.R.1
  • 36
    • 11944257550 scopus 로고
    • L.P. Kouwenhoven: Science 268, 1440 (1995); F.R. Waugh et al.: Phys. Rev. Lett. 75, 705 (1995); N.C. van der Waart et al.: Phys. Rev. Lett. 74, 4702 (1995); R.H. Blick et al.: Phys. Rev. Lett. 80, 4032 (1998) and Phys. Rev. B 53, 7899 (1996)
    • (1995) Phys. Rev. Lett. , vol.74 , pp. 4702
    • Van Der Waart, N.C.1
  • 37
    • 4244102602 scopus 로고    scopus 로고
    • L.P. Kouwenhoven: Science 268, 1440 (1995); F.R. Waugh et al.: Phys. Rev. Lett. 75, 705 (1995); N.C. van der Waart et al.: Phys. Rev. Lett. 74, 4702 (1995); R.H. Blick et al.: Phys. Rev. Lett. 80, 4032 (1998) and Phys. Rev. B 53, 7899 (1996)
    • (1998) Phys. Rev. Lett. , vol.80 , pp. 4032
    • Blick, R.H.1
  • 38
    • 0001481725 scopus 로고    scopus 로고
    • L.P. Kouwenhoven: Science 268, 1440 (1995); F.R. Waugh et al.: Phys. Rev. Lett. 75, 705 (1995); N.C. van der Waart et al.: Phys. Rev. Lett. 74, 4702 (1995); R.H. Blick et al.: Phys. Rev. Lett. 80, 4032 (1998) and Phys. Rev. B 53, 7899 (1996)
    • (1996) Phys. Rev. B , vol.53 , pp. 7899
  • 39
    • 33646622306 scopus 로고
    • V. Fock: Z. Phys. 47, 446 (1928); C.G. Darwin: Proc. Cambridge Philos. Soc. 27, 86 (1930)
    • (1928) Z. Phys. , vol.47 , pp. 446
    • Fock, V.1
  • 50
    • 0001483578 scopus 로고
    • A 3D field-free version of the TCOM has been used in the description of fission in metal clusters [C. Yannouleas, U. Landman: J. Phys. Chem. 99, 14577 (1995); C. Yannouleas et al.: Comments At. Mol. Phys. 31, 445 (1995)] and nuclei [J. Maruhn, W. Greiner: Z. Phys. 251, 431 (1972); C.Y. Wong: Phys. Lett. 30B, 61 (1969)]
    • (1995) J. Phys. Chem. , vol.99 , pp. 14577
    • Yannouleas, C.1    Landman, U.2
  • 51
    • 0001483578 scopus 로고
    • A 3D field-free version of the TCOM has been used in the description of fission in metal clusters [C. Yannouleas, U. Landman: J. Phys. Chem. 99, 14577 (1995); C. Yannouleas et al.: Comments At. Mol. Phys. 31, 445 (1995)] and nuclei [J. Maruhn, W. Greiner: Z. Phys. 251, 431 (1972); C.Y. Wong: Phys. Lett. 30B, 61 (1969)]
    • (1995) Comments At. Mol. Phys. , vol.31 , pp. 445
    • Yannouleas, C.1
  • 52
    • 33751559766 scopus 로고
    • A 3D field-free version of the TCOM has been used in the description of fission in metal clusters [C. Yannouleas, U. Landman: J. Phys. Chem. 99, 14577 (1995); C. Yannouleas et al.: Comments At. Mol. Phys. 31, 445 (1995)] and nuclei [J. Maruhn, W. Greiner: Z. Phys. 251, 431 (1972); C.Y. Wong: Phys. Lett. 30B, 61 (1969)]
    • (1972) Z. Phys. , vol.251 , pp. 431
    • Maruhn, J.1    Greiner, W.2
  • 53
    • 0001866320 scopus 로고
    • A 3D field-free version of the TCOM has been used in the description of fission in metal clusters [C. Yannouleas, U. Landman: J. Phys. Chem. 99, 14577 (1995); C. Yannouleas et al.: Comments At. Mol. Phys. 31, 445 (1995)] and nuclei [J. Maruhn, W. Greiner: Z. Phys. 251, 431 (1972); C.Y. Wong: Phys. Lett. 30B, 61 (1969)]
    • (1969) Phys. Lett. , vol.30 B , pp. 61
    • Wong, C.Y.1
  • 54
    • 0008998908 scopus 로고    scopus 로고
    • note
    • The method described in [21] was used with a 60.16 Ry* [Ry* (GaAs) = 5.48 meV] kinetic-energy cutoff for the plane wave basis
  • 55
    • 0009051778 scopus 로고    scopus 로고
    • note
    • b = 10 and 30 meV in Fig. 5).
  • 57
    • 0000976468 scopus 로고
    • Our sS-UHF employs N (mean-field) effective potentials and differs from the usual (restricted) HF in two ways: (i) it employs different orbitals for different spin directions (DODS), and (ii) it relaxes the requirement that the electron wave functions be constrained by the symmetry of the external confining field. Earlier HF studies of single QD's did not incorporate the spin-and-Space unrestrictions simultaneously. For example, Wigner molecules (at B = 0 and/or finite B) were not found by D. Pfannkuche et al.: [Phys. Rev. B 47, 2244 (1993)] and M. Fujito et al.: [Phys. Rev. B 53, 9952 (1996)]. Indeed, using symmetry-restricted variational wave functions, we have reproduced the results of these studies, while with the sS-UHF, with no such restrictions, broken-symmetry solutions with lower energy were obtained as described here. We further note here that employing a Space-UHF, but only for fully polarized single QD's (i.e., under high magnetic fields where the spin unrestriction is not at play), Wigner crystallization has been investigated [38(b)]. LSD calculations [29, 39] where there are only two effective potentials (associated with the two spin directions) cannot yield in general crystallized solutions (except for N = 2 in a deformed single QD and in a QDM [39]). While certain symmetry breaking can be obtained with LSD (e.g., pure spin density waves [29(c)]), spatial localization may require self-interaction corrections (SIC-LSD, see [40])
    • (1993) Phys. Rev. B , vol.47 , pp. 2244
    • Pfannkuche, D.1
  • 58
    • 0001366320 scopus 로고    scopus 로고
    • Our sS-UHF employs N (mean-field) effective potentials and differs from the usual (restricted) HF in two ways: (i) it employs different orbitals for different spin directions (DODS), and (ii) it relaxes the requirement that the electron wave functions be constrained by the symmetry of the external confining field. Earlier HF studies of single QD's did not incorporate the spin-and-Space unrestrictions simultaneously. For example, Wigner molecules (at B = 0 and/or finite B) were not found by D. Pfannkuche et al.: [Phys. Rev. B 47, 2244 (1993)] and M. Fujito et al.: [Phys. Rev. B 53, 9952 (1996)]. Indeed, using symmetry-restricted variational wave functions, we have reproduced the results of these studies, while with the sS-UHF, with no such restrictions, broken-symmetry solutions with lower energy were obtained as described here. We further note here that employing a Space-UHF, but only for fully polarized single QD's (i.e., under high magnetic fields where the spin unrestriction is not at play), Wigner crystallization has been investigated [38(b)]. LSD calculations [29, 39] where there are only two effective potentials (associated with the two spin directions) cannot yield in general crystallized solutions (except for N = 2 in a deformed single QD and in a QDM [39]). While certain symmetry breaking can be obtained with LSD (e.g., pure spin density waves [29(c)]), spatial localization may require self-interaction corrections (SIC-LSD, see [40])
    • (1996) Phys. Rev. B , vol.53 , pp. 9952
    • Fujito, M.1
  • 59
    • 0009001951 scopus 로고    scopus 로고
    • [34], p. 1; For a general discussion of SB and the associated emergence of highly degenerate manifolds of excitations (Goldstone modes)
    • (a) J. Paldus in [34], p. 1; For a general discussion of SB and the associated emergence of highly degenerate manifolds of excitations (Goldstone modes)
    • Paldus, J.1
  • 61
    • 0003398525 scopus 로고
    • Springer, New York in the context of SB in finite systems and restoration of broken symmetries (Ch. 11)
    • and (c) P. Ring, P. Schuck: The Nuclear Many-Body Problem (Springer, New York 1980), in the context of SB in finite systems and restoration of broken symmetries (Ch. 11);
    • (1980) The Nuclear Many-body Problem
    • Ring, P.1    Schuck, P.2
  • 67
    • 85118959586 scopus 로고    scopus 로고
    • note
    • b = 0, 10 and 30 meV (see description in Fig. 5), as well as for a deformed single QD, did our LSD calculation yield (singlet) localized electron states
  • 68
    • 26144450583 scopus 로고
    • J.P. Perdew, A. Zunger: Phys. Rev. B 23, 5048 (1981); R.O. Jones, O. Gunnarsson: Rev. Mod. Phys. 61, 689 (1989)
    • (1981) Phys. Rev. B , vol.23 , pp. 5048
    • Perdew, J.P.1    Zunger, A.2
  • 70
    • 0009033648 scopus 로고    scopus 로고
    • note
    • This includes spectroscopical probing of the intrinsic electronic spectra of the SB states, and of the rotational and vibrational spectra (Goldstone modes [36(b and c)]) of the symmetry broken states (WM's) using radio and/or microwave frequencies (and possibly employing polarized radiation), as well as studies of the effect of impurities on the formation of SB states and their spectra; for investigations of impurity-pinning effects, see C. Yannouleas, U. Landman, to be published


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.