Internal excitation of sputtered neutral indium clusters

Staudt, Christian; Wucher, A.; Neukermans, Sven; Janssens, Ewald; Vanhoutte, Frederik; Vandeweert, Erno; Silverans, Roger; Lievens, Peter

doi:10.1016/s0168-583x(02)00905-9

Cited by 9 publications

(1 citation statement)

References 28 publications

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“…[1] Thus, over the past decades, the structural and electronic properties of indium clusters have been extensively studied both experimentally and theoretically. [2][3][4][5][6][7][8][9][10][11] For example, Staudt and Wucher [11] investigated the yields of neutral and charged In n clusters sputtered from a pure indium surface under bombardment with 15-keV Xe + ions, the results demonstrated that for clusters containing more than about 20 atoms the detection probability became an exceedingly important parameter that needed to be characterized in order to arrive at a quantitative determination of the true cluster size distribution.…”

Section: Introductionmentioning

confidence: 99%

Geometries, stabilities, and electronic properties analysis in In _n Ni ^(0,±1) clusters: Molecular modeling and DFT calculations ^*

et al. 2017

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Density functional theory (DFT) with the B3LYP method and the SDD basis set is selected to investigate In n Ni, In n Ni − , and In n Ni + (n = 1-14) clusters. For neutral and charged systems, several isomers and different multiplicities are studied with the aim to confirm the most stable structures. The structural evolution of neutral, cationic, and anionic In n Ni clusters, which favors the three-dimensional structures for n = 3-14. The main configurations of the In n Ni isomers are not affected by adding or removing an electron, the order of their stabilities is also nearly not affected. The obtained binding energy exhibits that the Ni-doped In 13 cluster is the most stable species of all different sized clusters. The calculated fragmentation energy and the second-order energy difference as a function of the cluster size exhibit a pronounced even-odd alternation phenomenon. The electronic properties including energy gap (E g ), adiabatic electron affinity (AEA), vertical electron detachment energy (VDE), adiabatic ionization potential energy (AIP), and vertical ionization potential energy (VIP) are studied. The total magnetic moments show that the different magnetic moments depend on the number of the In atoms for charged In n Ni. Additionally, the natural population analysis of In n Ni (0,±1) clusters is also discussed.

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Section: Introductionmentioning

confidence: 99%

Geometries, stabilities, and electronic properties analysis in In _n Ni ^(0,±1) clusters: Molecular modeling and DFT calculations ^*

et al. 2017

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Atomic and Superatomic Orbital Interactions in In8FeNan Clusters

2022

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First-principles study of the geometrical and electronic structures of InnN2 (n=1–10) clusters

Zhang

Liu

Bai

2012

Computational and Theoretical Chemistry

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Internal excitation of sputtered neutral indium clusters

Cited by 9 publications

References 28 publications

Geometries, stabilities, and electronic properties analysis in In _n Ni ^(0,±1) clusters: Molecular modeling and DFT calculations ^*

Geometries, stabilities, and electronic properties analysis in In _n Ni ^(0,±1) clusters: Molecular modeling and DFT calculations ^*

Atomic and Superatomic Orbital Interactions in In8FeNan Clusters

First-principles study of the geometrical and electronic structures of InnN2 (n=1–10) clusters

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Internal excitation of sputtered neutral indium clusters

Cited by 9 publications

References 28 publications

Geometries, stabilities, and electronic properties analysis in In n Ni (0,±1) clusters: Molecular modeling and DFT calculations *

Geometries, stabilities, and electronic properties analysis in In n Ni (0,±1) clusters: Molecular modeling and DFT calculations *

Atomic and Superatomic Orbital Interactions in In8FeNan Clusters

First-principles study of the geometrical and electronic structures of InnN2 (n=1–10) clusters

Contact Info

Product

Resources

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Geometries, stabilities, and electronic properties analysis in In _n Ni ^(0,±1) clusters: Molecular modeling and DFT calculations ^*

Geometries, stabilities, and electronic properties analysis in In _n Ni ^(0,±1) clusters: Molecular modeling and DFT calculations ^*