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

Castillo, R., Schnelle, W., Baranov, A. I., Burkhardt, U., Bobnar, M., Cardoso-Gil, R., et al. (2016). Trigermanides AEGe3 (AE = Ca, Sr, Ba): chemical bonding and superconductivity. Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences, 71(5), 585-592. doi:10.1515/znb-2016-0047.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002A-D770-6 Version Permalink: http://hdl.handle.net/21.11116/0000-0001-5F74-3
Genre: Journal Article

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 Creators:
Castillo, Rodrigo1, Author              
Schnelle, Walter2, Author              
Baranov, Alexey I.1, Author              
Burkhardt, Ulrich3, Author              
Bobnar, Matej1, Author              
Cardoso-Gil, Raul4, Author              
Schwarz, Ulrich5, Author              
Grin, Yuri6, 7, Author              
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863441              
3Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863422              
4Raul Cardoso, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863420              
5Ulrich Schwarz, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863423              
6Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              
7External Organizations, ou_persistent22              

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 Abstract: 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).

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Language(s): eng - English
 Dates: 2016-05-152016-05-15
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 000375748200027
DOI: 10.1515/znb-2016-0047
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Title: Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences
  Abbreviation : Z. Naturforsch., B: J. Chem. Sci.
Source Genre: Journal
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Publ. Info: Berlin : Walter de Gruyter GmbH
Pages: - Volume / Issue: 71 (5) Sequence Number: - Start / End Page: 585 - 592 Identifier: ISSN: 0932-0776
CoNE: /journals/resource/954927655916