Work function of small metal particles: Self-consistent spherical jellium-background model

Ekardt, W.

doi:10.1103/physrevb.29.1558

Cited by 812 publications

(488 citation statements)

References 16 publications

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“…(17)), we consider the data presented in Table I. These data are extracted from the results of the self-consistent calculations performed in [37]. In that work, the electron energy spectrum was calculated for a self-consistent spherical potential whose form was far from being rectangular.…”

Section: Resultsmentioning

confidence: 99%

Energetics of metal slabs and clusters: The rectangular-box model

2005

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An expansion of energy characteristics of wide thin slab of thickness L in power of 1/L is constructed using the free-electron approximation and the model of a potential well of finite depth. Accuracy of results in each order of the expansion is analyzed. Size dependences of the work function and electronic elastic force for Au and Na slabs are calculated. It is concluded that the work function of low-dimensional metal structure is always smaller that of semi-infinite metal sample.A mechanism for the Coulomb instability of charged metal clusters, different from Rayleigh's one, is discussed. The two-component model of a metallic cluster yields the different critical sizes depending on a kind of charging particles (electrons or ions). For the cuboid clusters, the electronic spectrum quantization is taken into account. The calculated critical sizes of Ag 2− N and Au 3− N clusters are in a good agreement with experimental data. A qualitative explanation is suggested for the Coulomb explosion of positively charged Na n+ N clusters at 3≤ n ≤5.

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Section: Resultsmentioning

confidence: 99%

Energetics of metal slabs and clusters: The rectangular-box model

2005

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“…Enhanced abundances at the "magic numbers" N= 8, 20, 40, 58, 92... have been shown to correspond to shell closings predicted by spherical jellium model calculations in the framework of density functional theory [3][4][5][6][7]. The dominant peaks in the experimental abundances coincide with the major spherical shell closings expected theoretically.…”

Section: Introductionmentioning

confidence: 90%

Modified Nilsson model for large sodium clusters

Reimann

Brack

Hansen³

1993

Z Phys D - Atoms, Molecules and Clusters

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Abstract. We propose a modified Nilsson model for spheroidal sodium clusters and investigate the modification of shell structure by deformation for sizes up to N = 850. For spherical clusters, our potential is fitted to the single-particle spectra obtained from microscopically selfconsistent Kohn-Sham calculations using the jellium model and the local density approximation. Employing Strutinsky's shell-correction method, the surface energy of the jetlium model is renormalized to its experimental value. We find good agreement between our theoretically predicted deformed magic numbers and the experimentally observed ones extracted from recent sodium mass abundance spectra.

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“…[3], and for spherically symmetric jellium clusters which have in the past decade received much attention [10][11][12]. The convergence properties of the procedure are basically the same; we therefore describe the details for the cluster problem.…”

Section: Application For Spherical Jellium Clustersmentioning

confidence: 99%

A rapidly converging algorithm for solving the Kohn—Sham and related equations in electronic structure theory

Auer

Krotscheck

1999

Computer Physics Communications

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We describe a rapidly converging algorithm for solving the Kohn-Sham equations and equations of similar structure that appear frequently in calculations of the structure of inhomogeneous electronic many-body systems. The algorithm has its roots the Hohenberg-Kohn theorem and solves directly for the electron density; single-particle wave functions are only used as auxiliary quantities. The method has been implemented for symmetric "slabs" of jellium as well as for spherical jellium clusters. Starting from very rough guesses for the initial electron density, convergence is reached within a few iterations. The iterations are driven by the static electric susceptibility.

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Work function of small metal particles: Self-consistent spherical jellium-background model

Cited by 812 publications

References 16 publications

Energetics of metal slabs and clusters: The rectangular-box model

Energetics of metal slabs and clusters: The rectangular-box model

Modified Nilsson model for large sodium clusters

A rapidly converging algorithm for solving the Kohn—Sham and related equations in electronic structure theory

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