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Chemical bonding in MgAgAs-type compounds

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Bende,  D.
Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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

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Wagner,  F. R.
Frank Wagner, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Bende, D., Grin, Y., & Wagner, F. R. (2016). Chemical bonding in MgAgAs-type compounds. In C. Felser (Ed.), Heusler Alloys (pp. 133-156). Cham: Springer.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0029-B2CD-B
Abstract
The chemical bonding in MgAgAs-type compounds of the main-group elements is analyzed with the aid of quantum chemical direct-space techniques.These phases show a variety of different bonding patterns from highly covalent interactions as in diamond to mostly ionic bonding as in the zinc-blende type compound BeS. The formal concept of the 8− N rule (octet rule) is related to the direct-space techniques to rationalize the results and compare the MgAgAs-type compounds with classical valence compounds like elements of the diamond structure, zinc-blende and Zintl phases. © Springer International Publishing Switzerland 2016.