Spectroscopic Evidence for the Tricapped Trigonal Prism Structure of Semiconductor Clusters

Müller, Jürgen; Liu, Bei; Shvartsburg, Alexandre A.; Öğüt, Serdar; Chelikowsky, James R.; Siu, Kin Wai Michael; Ho, Kai Ming; Ganteför, Gerd

doi:10.1103/physrevlett.85.1666

Cited by 95 publications

(98 citation statements)

References 28 publications

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“…For example, cross sections of Si n +/− have been determined from ion mobility measurements. 10,11 Anionic silicon clusters have been intensively investigated by photoelectron spectroscopy [12][13][14][15][16] and for a few small clusters this has allowed to resolve vibrational progressions. [17][18][19] Recently we have reported the measurement of infrared spectra for Si 6-21 + with IR multiple photon dissociation using the evaporation of weakly bound Xe atoms as messenger for the absorption.…”

mentioning

confidence: 99%

Vibrational spectroscopy of neutral silicon clusters via far-IR-VUV two color ionization

Fielicke

Lyon

Haertelt

et al. 2009

The Journal of Chemical Physics

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Tunable far-infrared-vacuum-ultraviolet two color ionization is used to obtain vibrational spectra of neutral silicon clusters in the gas phase. Upon excitation with tunable infrared light prior to irradiation with UV photons we observe strong enhancements in the mass spectrometric signal of specific cluster sizes. This allowed the recording of the infrared absorption spectra of Si6, Si7, and Si10. Structural assignments were made by comparison with calculated linear absorption spectra from quantum chemical theory.

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mentioning

confidence: 99%

Vibrational spectroscopy of neutral silicon clusters via far-IR-VUV two color ionization

Fielicke

Lyon

Haertelt

et al. 2009

The Journal of Chemical Physics

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“…Therefore, for our studies we selected Si 4 as a possible candidate as a building block for cluster material and deposited Si − 4 cluster anions on HOPG at a kinetic energy of 2 eV corresponding to 0.5 eV/atom. This cluster is known to be magic with a HOMO-LUMO gap comparable to C 60 [45,46]. Figure 8 displays a comparison of XPS spectra of the silicon 2 p peak of Si 4 clusters (a) deposited on HOPG with that of bulk silicon (b).…”

Section: Deposition Of 'Magic' Silicon Clustersmentioning

confidence: 99%

“…With the STM condensed material is detected at the edges with no further information about the detailed structure. Si 39 are not magic clusters, because they have relatively small HOMO-LUMO gaps (highest occupied molecular orbital, lowest unoccupied molecular orbital) [45]. A large gap (about 1 eV) indicates a magic cluster [46,47].…”

Section: Deposition Of 'Magic' Silicon Clustersmentioning

confidence: 99%

Deposition of mass-selected cluster ions using a pulsed arc cluster-ion source

Klipp

Grass

Müller

et al. 2001

Applied Physics A: Materials Science & Processing

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Abstract.A PACIS (pulsed arc cluster-ion source) developed for high average cluster-ion currents is presented. The performance of the PACIS at different operational modes is described, and the suitability for cluster-deposition experiments is discussed in comparison with other cluster-ion sources. Maximum currents of mass-selected cluster ions of 3-6 nA of small Si The preparation of nanostructures on surfaces is one of the major tasks in technology and basic research. Applications of nanostructured surfaces are abundant and cover a wide range from heterogeneous catalysis to high-density computer memories. From the point of view of basic research, many of the properties of small three-dimensional nanostructures and two-dimensional islands on surfaces are not well understood yet. For example, there is no systematic study of the size-dependence of the electronic structure of clusters of simple metals on surfaces, although free clusters of such metals show strong variations depending on the number of delocalized electrons [1]. Concerning the chemical properties, there are first results on the size-dependence of the catalytic properties of small clusters on inert substrates [2], but there are only very few systematic studies yet (see below). The kind of research focussing on the electronic and chemical properties of monodispersed small clusters on surfaces is only at its beginning. The reason is that it is difficult to deposit clusters with a perfectly monodispersed size distribution on a surface.

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“…Lines -experimental lower and upper limits for IP. [10]; filled and open triangles -NTB [3] for regular growth pattern and for reoptimized clusters from Ref. [7], respectively; when both triangles coincide, only filled triangles are seen.…”

Section: Ntb and Its Application For Silicon Clustersmentioning

confidence: 99%

Non-conventional tight-binding method for simulation of atomic clusters and solids

Khakimov

2006

J. Phys.: Conf. Ser.

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IntroductionThe tight-binding (TB) model has become a popular and convenient tool for total energy calculations and molecular dynamics simulations of complex systems. It offers a reasonable compromise between classical interaction potentials and ab initio electronic structure calculation methods, being rather close in efficiency to the former due to strong simplifications in the electronic structure calculations. In the last two decades much attention has been paid to development of different TB models. Now one can find successful applications of TB in physics, chemistry and biology. In spite of this, conventional TB models are not accurate enough yet to relay on them in the case of complex systems and unknown structures, particularly for the rich variety of possible nanostructures where the environment of the atoms is intermediate between the molecular and bulk environments. Development of conventional TB total energy calculation models has been mostly driven by the desire to have the simplest electronic structure based computational approach possible, while accuracy and transferability problems have been addressed by increasing the complexity of analytical formulas for terms of the TB total energy functional, as well as by increasing the number of fitting parameters and reference systems. This functional, introduced originally by Chadi [1] for simplified estimation of relaxation of silicon surface, is now widely accepted and most authors use and modify it without care about physical meaning of its terms. This work highlights the principal differences between conventional TB methods and a nonconventional tight-binding (NTB) method [2], which is based on more correct total energy functional with four easily interpretable energy terms that are initially defined in terms of individual characteristics of chemical elements: Slater exponents and energy of atomic orbitals (AO). Then the results of the application of NTB with improved parameterization [3] for silicon clusters will be presented, demonstrating the potential of tight-binding methods as a quantitative, predictive tool, provided they are based on an accurate total energy functional and exploit properly the individual properties of chemical elements, accounting for both intra-and inter-atomic charge redistributions.

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Spectroscopic Evidence for the Tricapped Trigonal Prism Structure of Semiconductor Clusters

Cited by 95 publications

References 28 publications

Vibrational spectroscopy of neutral silicon clusters via far-IR-VUV two color ionization

Vibrational spectroscopy of neutral silicon clusters via far-IR-VUV two color ionization

Deposition of mass-selected cluster ions using a pulsed arc cluster-ion source

Non-conventional tight-binding method for simulation of atomic clusters and solids

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