Sodium cluster ionisation potentials revisited: Higher-resolution measurements for Nax (x&lt;23) and their relation to bonding models

Kappes, Manfred M.; Schär, Martin; Röthlisberger, Ursula; Yeretzian, Chahan; Schumacher, Ernst

doi:10.1016/0009-2614(88)87376-7

Cited by 203 publications

(94 citation statements)

References 32 publications

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“…Relaxing the shape of the jellium background as well as its density distribution while keeping charge neutrality at every point in space, called the ultimate jellium model (UJM), was introduced by Koskinen et al 20 Since the bulk density in the UJM (r s = 4.18) is close to that of sodium, its results can be compared with experiments on Na metal clusters. 21,22 However, since the jellium density and the electron density in the UJM are locally equal everywhere, the UJM cannot describe the ionized clusters.…”

Section: Introductionmentioning

confidence: 99%

Finite-size effects and the stabilized spin-polarized jellium model for metal clusters

Payami

1999

The Journal of Chemical Physics

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In the framework of spherical geometry for jellium and local spin density approximation, we have obtained the equilibrium r s values,r s (N, ζ), of neutral and singly ionized "generic" N -electron clusters for their various spin polarizations, ζ. Our results reveal thatr s (N, ζ) as a function of ζ behaves differently depending on whether N corresponds to a closed-shell or an openshell cluster. That is, for a closed-shell one,r s (N, ζ) is an increasing function of ζ over the whole range 0 ≤ ζ ≤ 1, and for an open-shell one, it has a decreasing part corresponding to the range 0 < ζ ≤ ζ 0 , where ζ 0 is a polarization that the cluster assumes in a configuration consistent with Hund's first rule. In the context of the stabilized spin-polarized jellium model, our calculations based on these equilibrium r s values,r s (N, ζ), show that instead of the maximum spin compensation (MSC) rule, Hund's first rule governs the minimum-energy configuration. We therefore conclude that the increasing behavior of the equilibrium r s values over the whole range of ζ is a necessary condition for obtaining the MSC rule for the minimum-energy configuration; and the only way to end up with an increasing behavior over the whole range of ζ is to break the spherical geometry of the jellium background. This is the reason why the results based on simple jellium with spheroidal or ellipsoidal geometries show up MSC rule.

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Section: Introductionmentioning

confidence: 99%

Finite-size effects and the stabilized spin-polarized jellium model for metal clusters

Payami

1999

The Journal of Chemical Physics

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“…[5,6,7] for Li, Na, and K, respectively. From the knowledge of the experimental ionization potentials [27,28,29,30] it is possible to get the binding energies for neutral clusters up to the size 26, 21, and 26 for Li, Na, and K, respectively. In our fragmentation model, since the properties of diatomic or the triatomic molecules are well known, we used for dimers and trimers the values of the vibrational frequencies and the calculated principal moments of inertia given in Tab.I.…”

Section: Alkali Metal Clustersmentioning

confidence: 99%

Fragmentation phase transition in atomic clusters II

Madjet

Hervieux

Gross

et al. 1997

Z Phys D - Atoms, Molecules and Clusters

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We present a statistical fragmentation study of doubly charged alkali (Li, Na, K) and antimony clusters. The evaporation of one charged trimer is the most dominant decay channel (asymmetric fission) at low excitation energies. For small sodium clusters this was quite early found in molecular dynamical calculations by Landman et al. [1]. For doubly charged lithium clusters, we predict Li + 9 to be the preferential dissociation channel. As already seen experimentally a more symmetric fission is found for doubly charged antimony clusters. This different behavior compared to the alkali metal clusters is in our model essentially due to a larger fissility of antimony. This is checked by repeating the calculations for Na ++ 52 with a bulk fissility parameter set artificially equal to the value of Sb.

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“…By changing step by step the ionization laser wavelength in the spectral range 220 nm -270 nm, the Photoionization Efficiency (PIE) curves, normalized to the laser intensity, are plotted and the IPS deduced from the photoionization thresholds obtained by linear extrapolation of the PIE curves. Let us emphasize that various methods of extrapolation for assigning I P S are available [3]. However the relative variations in the sizeevolution of the I P S are roughly insensitive to the used procedure.…”

Section: Experimental Results For Small Aluminum and Indium Clustersmentioning

confidence: 99%

Shell Structure in Photoionization Spectra of Trivalent Metal Clusters

Pellarin

Lermé

Baguenard

et al. 1992

Ber Bunsenges Phys Chem

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Clusters / Ionization 1 Mass Spectrometry 1 Metals Molecular BeamsPhotoionization mass spectra of large AIN and InN clusters, produced by laser vaporization technique, have been recorded via standard TOF spectroscopic methods. Ionization potentials are measured in the size range N = 37-112 for aluminum and N = 31 -132 for indium. Comparison between these two trivalent simple metals is presented, as well as with the electronic shell structure predictions of the spherical jellium model. In the large size range N = 200-1400, regular oscillations are observed in the AIN mass spectra. This oscillating behaviour, which is a manifestation of the electronic shell structure of the N, = 3 N valence electrons, is analyzed within the semiclassical theory of single-particle quantum level density. The oscillation period as a function of Nil', two times shorter than the period obtained in alkali cluster experiments, is well explained by the classical two-turn star orbit contribution, whereas for alkali metals the electronic structure near the Fermi energy is governed by the single-turn triangular and square orbit contributions.

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Sodium cluster ionisation potentials revisited: Higher-resolution measurements for Nax (x<23) and their relation to bonding models

Cited by 203 publications

References 32 publications

Finite-size effects and the stabilized spin-polarized jellium model for metal clusters

Finite-size effects and the stabilized spin-polarized jellium model for metal clusters

Fragmentation phase transition in atomic clusters II

Shell Structure in Photoionization Spectra of Trivalent Metal Clusters

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