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2005
Theory of the condensed state
D 1000
Electronic Structure of Li2Ga and Li 9Al 4 Two Solids Containing Infinite and UniZigzag Chains. — The electronic structures of the title compounds containing
13- 005 form
homoatomic zigzag chains are discussed on the basis of first principles DFT calculations. The bonding in Li2Ga and Li9Al4 is very similar, and both phases are predicted
to be stable three-dimensional metallic conductors. The electron transfer in these
phases is found to be very different from that suggested by the traditional Zintl
approach. — (ALEMANY*, P.; LLUNELL, M.; CANADELL, E.; Inorg. Chem. 44
(2005) 2, 374-381; Dep. Quim. Fis, Fac. Quim., Univ. Barcelona, E-08028 Barcelona,
Spain; Eng.) — Schramke
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