Trigermanides AEGe3 (AE = Ca, Sr, Ba): chemical bonding and superconductivity

Castillo, Rodrigo; Schnelle, Walter; Baranov, Alexey I.; Burkhardt, Ulrich; Bobnar, Matej; Cardoso-Gil, Raul; Schwarz, Ulrich; Grin, Yuri

doi:10.1515/znb-2016-0047

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Trigermanides AEGe₃ (AE = Ca, Sr, Ba): chemical bonding and superconductivity

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/persons/resource/persons138578

Castillo, Rodrigo
Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126838

Schnelle, Walter
Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126530

Baranov, Alexey I.
Alexey Baranov, Max Planck Fellow, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126556

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

/persons/resource/persons146769

Bobnar, Matej
Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126561

Cardoso-Gil, Raul
Raul Cardoso, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126841

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

/persons/resource/persons126626

Grin, Yuri
Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;
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Castillo, R., Schnelle, W., Baranov, A. I., Burkhardt, U., Bobnar, M., Cardoso-Gil, R., Schwarz, U., & Grin, Y. (2016). Trigermanides AEGe₃ (AE = Ca, Sr, Ba): chemical bonding and superconductivity. Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie; Verlag der Zeitschrift für Naturforschung, Tübingen, 71(5), 585-592. doi:10.1515/znb-2016-0047.

引用: https://hdl.handle.net/11858/00-001M-0000-002A-D770-6

要旨

The crystal structures of the trigermanides AEGe(3) (tI32) (AE = Ca, Sr, Ba; space group I4/mmm, for SrGe3 : a = 7.7873(1), c = 12.0622(3)angstrom) comprise Ge-2 dumbbells forming layered Ge substructures which enclose embedded AE atoms. The chemical bonding analysis by application of the electron localizability approach reveals a substantial charge transfer from the AE atoms to the germanium substructure. The bonding within the dumbbells is of the covalent two-center type. A detailed analysis of SrGe3 reveals that the interaction on the bond-opposite side of the Ge-2 groups is not lone pair-like-as it would be expected from the Zintl-like interpretation of the crystal structure with anionic Ge layers separated by alkaline-earth cations-but multi-center strongly polar between the Ge-2 dumbbells and the adjacent metal atoms. Similar atomic interactions are present in CaGe3 and BaGe3. The variation of the alkaline-earth metal has a merely insignificant influence on the superconducting transition temperatures in the s,p-electron compounds AEGe(3).