Electron density distribution in a single crystal of (formula presented) (formula presented)

H. Mori, S. Lee, Ayako Yamamoto, S. Tajima, S. Sato

Research output: Contribution to journalArticle

Abstract

The electron density distribution in (formula presented) has been obtained by the precise x-ray structure analysis on high-quality single crystals. A slight deficiency (formula presented) 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 (formula presented) orbitals of the boron atom. Further, the difference Fourier maps clearly reveal the (formula presented) covalent bonds within the B plane and (formula presented) orbitals perpendicular to the B plane. Both σ and π 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.

Original languageEnglish
Pages (from-to)1-4
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume65
Issue number9
DOIs
Publication statusPublished - 2002 Jan 1
Externally publishedYes

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Electronic density of states
density distribution
Single crystals
Atoms
single crystals
Boron
Covalent bonds
X rays
Electrons
atoms
orbitals
covalent bonds
electron distribution
triangles
boron

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Electron density distribution in a single crystal of (formula presented) (formula presented). / Mori, H.; Lee, S.; Yamamoto, Ayako; Tajima, S.; Sato, S.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 65, No. 9, 01.01.2002, p. 1-4.

Research output: Contribution to journalArticle

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