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

D. J. Singh

doi:10.1103/PhysRevB.71.216101

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

Materials Science 2009-11-10 v1

Authors: 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.

Keywords

electronic structure electronic structure of materials

Cite

@article{arxiv.cond-mat/0407232,
  title  = {Comment on Structural Stability and Electronic Structure for Li$_3$AlH$_6$},
  author = {D. J. Singh},
  journal= {arXiv preprint arXiv:cond-mat/0407232},
  year   = {2009}
}

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