dorsal/arxiv
View SchemaStructure and Magnetism of Neutral and Anionic Palladium Clusters
| Authors | M. Moseler, H. Hakkinen, R. N. Barnett, U. Landman |
|---|---|
| Categories | |
| ArXiv ID | physics/0101069 |
| URL | https://arxiv.org/abs/physics/0101069 |
| DOI | 10.1103/PhysRevLett.86.2545 |
Abstract
The properties of neutral and anionic Pd_N clusters were investigated with spin-density-functional calculations. The ground state structures are three-dimensional for N>3 and they are magnetic with a spin-triplet for 2<=N<=7 and a spin nonet for N=13 neutral clusters. Structural- and spin-isomers were determined and an anomalous increase of the magnetic moment with temperature is predicted for a Pd_7 ensemble. Vertical electron detachment and ionization energies were calculated and the former agree well with measured values for anionic Pd_N clusters.
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"abstract": "The properties of neutral and anionic Pd_N clusters were investigated with\nspin-density-functional calculations. The ground state structures are\nthree-dimensional for N\u003e3 and they are magnetic with a spin-triplet for 2\u003c=N\u003c=7\nand a spin nonet for N=13 neutral clusters. Structural- and spin-isomers were\ndetermined and an anomalous increase of the magnetic moment with temperature is\npredicted for a Pd_7 ensemble. Vertical electron detachment and ionization\nenergies were calculated and the former agree well with measured values for\nanionic Pd_N clusters.",
"arxiv_id": "physics/0101069",
"authors": [
"M. Moseler",
"H. Hakkinen",
"R. N. Barnett",
"U. Landman"
],
"categories": [
"physics.atm-clus"
],
"doi": "10.1103/PhysRevLett.86.2545",
"title": "Structure and Magnetism of Neutral and Anionic Palladium Clusters",
"url": "https://arxiv.org/abs/physics/0101069"
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