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Structural Complexity in the Apparently Simple Crystal Structure of Be Ru. | LitMetric

Structural Complexity in the Apparently Simple Crystal Structure of Be Ru.

Chemistry

Max-Planck-Institut für Chemische Physik fester Stoffe, Chemische Metallkunde, Nöthnitzer Straße 40, 01187, Dresden, Germany.

Published: June 2023

AI Article Synopsis

  • - The study of Be Ru's hexagonal layered crystal structure utilized single crystal X-ray diffraction and transmission electron microscopy, revealing a main hexagonal matrix with minor orthorhombic inclusions.
  • - The atomic arrangement is stabilized through charge transfer from Be to Ru and the presence of polar three- and four-atomic bonds between the elements.
  • - Unlike typical intermetallic compounds, Be Ru displays a pseudo gap in its electronic density of states near the Fermi level, and it demonstrates metallic behavior in electrical resistivity as a result of a non-zero DOS at that level.

Article Abstract

The structural features of the hexagonal layered crystal structure of Be Ru (a=5.7508(3) Å, c=3.0044(2) Å, space group P 2m) were investigated by single crystal X-ray diffraction and transmission electron microscopy (TEM). The residual electron density and high-resolution TEM images show that the real structure can be described as an intergrowth of the main hexagonal matrix of the Fe P type with minor orthorhombic inclusions of its stacking variants. Such atomic arrangement is stabilized by the charge transfer from Be to Ru and by a system of polar three- and four-atomic bonds involving both components. The calculated electronic density of states (DOS) of Be Ru revealed, contrarily to typical intermetallic compounds, a pseudo gap (dip) in the vicinity of the Fermi level. The temperature dependence of the electrical resistivity of Be Ru shows metal behaviour in agreement with the non-zero DOS at the Fermi level.

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Source
http://dx.doi.org/10.1002/chem.202300578DOI Listing

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