ELECTRONIC-STRUCTURES OF MAGNESIUM CLUSTERS

被引：34

作者：

GONG, XG ^{[1
]}

ZHENG, QQ ^{[1
]}

HE, YZ ^{[1
]}

机构：

[1] ACAD SINICA, INST SOLID STATE PHYS, HEFEI 230031, PEOPLES R CHINA

来源：

PHYSICS LETTERS A | 1993年 / 181卷 / 06期

关键词：

D O I：

10.1016/0375-9601(93)91150-4

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Electronic structures of magnesium clusters (up to 57 atoms) are studied by the spin-unrestricted density functional theory with a local density approximation. As the cluster size increases, more 3p electrons will be involved in the sp hybridization. The obtained energy gap, binding energy and electronic structure suggest that the convergence of Mg clusters toward the bulk bonding is slower than that of Be clusters.

引用

页码：459 / 464

页数：6

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