Structural Complexity in the Apparently Simple Crystal Structure of Be2Ru

Agnarelli, Laura; Prots, Yurii; Ormeci, Alim; Ramlau, Reiner; Krnel, Mitja; Svanidze, Eteri; König, Markus; Schmidt, Marcus; Burkhardt, Ulrich; Leithe-Jasper, Andreas; Grin, Yuri

doi:10.1002/chem.202300578

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Structural Complexity in the Apparently Simple Crystal Structure of Be₂Ru

MPG-Autoren

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Agnarelli, Laura
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Prots, Yurii
Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Ormeci, Alim
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Ramlau, Reiner
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Krnel, Mitja
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Svanidze, Eteri
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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König, Markus
Markus König, Physics of Quantum Materials, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Schmidt, Marcus
Marcus Schmidt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Burkhardt, Ulrich
Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Leithe-Jasper, Andreas
Andreas Leithe-Jasper, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Grin, Yuri
Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Zitation

Agnarelli, L., Prots, Y., Ormeci, A., Ramlau, R., Krnel, M., Svanidze, E., et al. (2023). Structural Complexity in the Apparently Simple Crystal Structure of Be₂Ru. Chemistry – A European Journal, 29(33): e202300578, pp. 1-9. doi:10.1002/chem.202300578.

Zitierlink: https://hdl.handle.net/21.11116/0000-000D-0C4D-1

Zusammenfassung

Abstract The structural features of the hexagonal layered crystal structure of Be2Ru (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 Fe2P 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 Be2Ru 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 Be2Ru shows metal behaviour in agreement with the non-zero DOS at the Fermi level.