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

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.

References in corpus (2)

• Electronic Structure of the Complex Hydride NaAlH4
• Weighted Density Approximation Description of Insulating YH${}_3$ and LaH${}_3$