Structure and magnetism of neutral and anionic palladium clusters

被引：193

作者：

Moseler, M ^{[1
]}

Häkkinen, H ^{[1
]}

Barnett, RN ^{[1
]}

Landman, U ^{[1
]}

机构：

[1] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA

来源：

PHYSICAL REVIEW LETTERS | 2001年 / 86卷 / 12期

关键词：

D O I：

10.1103/PhysRevLett.86.2545

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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 less than or equal to N less than or equal to 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 agrees well with measured values for Pd-N(-).

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页码：2545 / 2548

页数：4

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