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

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

2004-07-09

arxiv.org/abs/cond-mat/0407232v1

Physics

Condensed Matter

Materials Science

Scientific paper

10.1103/PhysRevB.71.216101

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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