Electron density distribution in a single crystal of Mg1-xB2 [x=0.045(5)] -: art. no. 092507

被引：27

作者：

Mori, H ^{[1
]}

Lee, S

Yamamoto, A

Tajima, S

Sato, S

机构：

[1] Int Superconduct Technol Ctr, Superconduct Res Lab, Koto Ku, Tokyo 1350062, Japan

[2] Sato Lab, Tokyo 1920023, Japan

来源：

PHYSICAL REVIEW B | 2002年 / 65卷 / 09期

关键词：

D O I：

10.1103/PhysRevB.65.092507

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electron density distribution in Mg1-xB2 has been obtained by the precise x-ray structure analysis on high-quality single crystals. A slight deficiency (xsimilar to0.04) of Mg has been observed. The obtained sectional Fourier map in the B plane shows the triangle-shaped electron distribution extended along the B-B bonds, which indicates the typical sp(2) orbitals of the boron atom. Further, the difference Fourier maps clearly reveal the Bsigma(sp(2)) covalent bonds within the B plane and Bpi(p(z)) orbitals perpendicular to the B plane. Both sigma and pi bonds construct the two-dimensional honeycomb network of the B atoms along the (001) plane. In contrast, there is no covalency between the B and Mg atoms, indicating the ionic bonds between B and Mg layers.

引用

页码：1 / 4

页数：4

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