Dynamical effects in the formation of magic cluster structures

Francesca Baletto; Arnaldo Rapallo; Giulia Rossi; Riccardo Ferrando

doi:10.1103/physrevb.69.235421

Fabrication of one-dimensional magic cluster arrays using a vicinal surface as a template

Applied Physics Letters ◽

10.1063/1.5090025 ◽

2019 ◽

Vol 114 (9) ◽

pp. 093102

Author(s):

Martin Franz ◽

Julia Schmermbeck ◽

Mario Dähne

Keyword(s):

Vicinal Surface ◽

One Dimensional ◽

Magic Cluster

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Formation of the Magic Cluster Na8in Noble Gas Matrixes†

Inorganic Chemistry ◽

10.1021/ic011161m ◽

2002 ◽

Vol 41 (24) ◽

pp. 6206-6210 ◽

Cited By ~ 15

Author(s):

Andreas Kornath ◽

Anja Zoermer ◽

Ralf Ludwig

Keyword(s):

Noble Gas ◽

Magic Cluster

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What is atomic structures of (ZnO)34 magic cluster?

Physics Letters A ◽

10.1016/j.physleta.2009.11.085 ◽

2010 ◽

Vol 374 (6) ◽

pp. 850-853 ◽

Cited By ~ 16

Author(s):

Xiaoqiu Wang ◽

Baolin Wang ◽

Lingli Tang ◽

Linwei Sai ◽

Jijun Zhao

Keyword(s):

Atomic Structures ◽

Magic Cluster

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AB INITIO STUDY OF STRUCTURAL STABILITY AND MAGNETIC PROPERTIES OF Con(n = 2 - 10): A STUDY BASED ON PSEUDOPOTENTIALS DFT

International Journal of Modern Physics C ◽

10.1142/s0129183111016336 ◽

2011 ◽

Vol 22 (04) ◽

pp. 359-369

Author(s):

M. SAMAH ◽

B. MOULA

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Ground State ◽

Density Functional ◽

Magnetic Moments ◽

Stability Study ◽

Ab Initio Study ◽

Functional Theory ◽

The Stability ◽

Magic Cluster

The lowest-energy geometric and isomers of freestanding Co n clusters (n = 2 - 10) and their corresponding magnetic moments have been studied using the Siesta code based on pseudopotential density-functional theory. The calculated results show that there are many isomers near the ground state. Different isomers hold different magnetic moment. The stability study shows that among the investigated clusters, the hexamer one is the most stable and is the magic cluster. Dissociation channels energy are also studied.

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Directed assembly of one-dimensional magic cluster arrays by domain boundaries

Physical Review B ◽

10.1103/physrevb.85.195448 ◽

2012 ◽

Vol 85 (19) ◽

Cited By ~ 3

Author(s):

Andrew G. Mark ◽

A. B. McLean

Keyword(s):

Directed Assembly ◽

One Dimensional ◽

Domain Boundaries ◽

Magic Cluster

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Persistence of magic cluster stability in ultra-thin semiconductor nanorods

Nanoscale ◽

10.1039/b9nr00282k ◽

2010 ◽

Vol 2 (1) ◽

pp. 72-77 ◽

Cited By ~ 22

Author(s):

Winyoo Sangthong ◽

Jumras Limtrakul ◽

Francesc Illas ◽

Stefan T. Bromley

Keyword(s):

Cluster Stability ◽

Thin Semiconductor ◽

Magic Cluster

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Reply to the ‘Comment on “Dynamic factors in the reactions between the magic cluster Al13− and HCl/HI”: A wavefunction instability problem.’ by Young-Kyu Han, Phys. Chem. Chem. Phys. 2012, DOI: 10.1039/C2CP23908F

Physical Chemistry Chemical Physics ◽

10.1039/c2cp40433h ◽

2012 ◽

Vol 14 (18) ◽

pp. 6641 ◽

Cited By ~ 1

Author(s):

Qinghong Yuan ◽

Zhi-feng Liu

Keyword(s):

Chem Phys ◽

Instability Problem ◽

Dynamic Factors ◽

Magic Cluster ◽

Phys Chem Chem Phys

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STRUCTURAL, ELECTRONIC, MAGNETIC, AND OPTICAL PROPERTIES OF 3d TRANSITION METAL ENDOHEDRAL M@Ge12H12(M=Sc–Ni) CLUSTERS

Journal of Theoretical and Computational Chemistry ◽

10.1142/s0219633613500636 ◽

2013 ◽

Vol 12 (07) ◽

pp. 1350063 ◽

Cited By ~ 1

Author(s):

CHUNMEI TANG ◽

WEIHUA ZHU ◽

AIMEI ZHANG ◽

MINGYI LIU ◽

KAIXIAO ZHANG

Keyword(s):

Optical Properties ◽

Energy Gap ◽

Visible Region ◽

Closed Shell ◽

Building Blocks ◽

Potential Applications ◽

Vertical Electron Affinity ◽

Ni Clusters ◽

Homo Lumo ◽

Magic Cluster

The fulerine- Ni @ Ge 12 H 12 structure, which composes of four pentagons and four rhombi and is like a fullerene, has a closed-shell electronic structure, the largest HOMO–LUMO energy gap, the highest vertical ionization potential, and the lowest vertical electron affinity. All of these properties are characteristic of a magic cluster, therefore, we strongly suggest fulerine- Ni @ Ge 12 H 12 should be a magic cluster and promising as building blocks in developing cluster-assembled nanomaterials. This can be interpreted by the weak interaction between Ni and the cage together with the transference of two electrons from the 4s orbital to the 3d orbital of Ni . The magnetic moment of fulerine- M @ Ge 12 H 12( M = Sc – Ni ) varies from 0 to 3 μB, implying they have potential applications in developing new nanomaterials with tunable magnetic properties. The calculated TDDFT optical properties of fulerine- M @ Ge 12 H 12( M = Sc – Ni ) can be tuned broadly in the ultraviolet–visible region. This is very important for optoelectronic applications.

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