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Comment on Structural Stability and Electronic Structure for Li$_3$AlH$_6$

D. J. Singh
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Abstract

Density functional calculations of the electronic structure are used to elucidate the bonding of Li$_3$AlH$_6$. It is found that this material is best described as ionic, and in particular that the [AlH$_6$]$^{3-}$ units are not reasonably viewed as substantially covalent.

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D. J. Singh. 2004-07-09. Comment on Structural Stability and Electronic Structure for Li$_3$AlH$_6$. https://doi.org/10.1103/physrevb.71.216101

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