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Literature DB >> 16386056

Magnetic properties in transition-metal-doped gold clusters: M@Au6 (M = Ti, V, Cr).

Xi Li¹, Boggavarapu Kiran, Li-Feng Cui, Lai-Sheng Wang.

Abstract

The electronic structure and magnetic properties in a series of transition-metal-doped Au clusters, MAu6- (M = Ti, V, Cr), are investigated experimentally using photoelectron spectroscopy (PES) and density functional calculations. PES features due to the impurity atoms and the host are clearly observed. It is found that all the MAu6- and MAu6 clusters possess a planar structure, in which the transition metal atom is located in the center of an Au6 ring and carries large magnetic moments (2, 3, and 4 muB for MAu6, M = Ti, V, and Cr, respectively).

Entities: Chemical Disease

Year: 2005 PMID： 16386056 DOI： 10.1103/PhysRevLett.95.253401

Source DB: PubMed Journal: Phys Rev Lett ISSN： 0031-9007 Impact factor: 9.161

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Cited

9 in total

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Authors: Yan-Fang Li; Ai-Jie Mao; Yang Li; Xiao-Yu Kuang
Journal: J Mol Model Date: 2011-12-14 Impact factor: 1.810

2. Equilibrium geometries, stabilities, and electronic properties of the cationic Au n Be + (n = 1-8) clusters: comparison with pure gold clusters.

Authors: Peng Shao; Xiao-Yu Kuang; Ya-Ru Zhao; Yan-Fang Li; Su-Juan Wang
Journal: J Mol Model Date: 2012-02-14 Impact factor: 1.810

3. Structural change from doping the gold cluster.

Authors: Yiji Tang; Shu-Guang Wang; Jia Li
Journal: J Mol Model Date: 2010-07-09 Impact factor: 1.810

4. A DFT study on equilibrium geometries, stabilities, and electronic properties of small bimetallic Na-doped Au(n) (n = 1-9) clusters: comparison with pure gold clusters.

Authors: Yan-Fang Li; Xiao-Yu Kuang; Ai-Jie Mao; Yang Li; Ya-Ru Zhao
Journal: J Mol Model Date: 2011-04-27 Impact factor: 1.810

Magnetic properties in transition-metal-doped gold clusters: M@Au6 (M = Ti, V, Cr).

1. Density functional study on size-dependent structures, stabilities, electronic and magnetic properties of Au(n)M (M = Al and Si, n = 1-9) clusters: comparison with pure gold clusters.

2. Equilibrium geometries, stabilities, and electronic properties of the cationic Au n Be + (n = 1-8) clusters: comparison with pure gold clusters.

3. Structural change from doping the gold cluster.

4. A DFT study on equilibrium geometries, stabilities, and electronic properties of small bimetallic Na-doped Au(n) (n = 1-9) clusters: comparison with pure gold clusters.

5. Probing the structural and electronic properties of aluminum-sulfur AlnSm (2≤n+m≤6) clusters and their oxides.

6. Stability and local magnetic moment of bilayer graphene by intercalation: first principles study.

7. Structural and electronic properties of uranium-encapsulated Au₁₄ cage.

8. Structural exploration of Au _x M^- (M = Si, Ge, Sn; x = 9-12) clusters with a revised genetic algorithm.

9. Bonding properties of a superatom system with high-Z elements: insights from energy decomposition analysis.