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- W4240702905 abstract "The structures and energies of a Ga5N5 cluster have been calculated using a full-potential linear-muffin-tin-orbital (FP-LMTO) method, combined with molecular dynamics technique. Twenty-four structures for a Ga5N5 cluster have been obtained. The most stable structure is a C1 planar structure with a N3 subunit. The Ga5N5 clusters show a preference for a N3 subunit, revealing the same behavior as in the Ga3N3 and Ga4N4 clusters. The existence of strong N–N bonds dominates the structure of a Ga5N5 cluster. Through the calculation of the density of states we found that the most stable structure of Ga5N5 clusters presented semiconductor-like properties." @default.
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- W4240702905 date "2002-12-01" @default.
- W4240702905 modified "2023-09-24" @default.
- W4240702905 title "Theoretical study of structures of Ga5N5 cluster" @default.
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- W4240702905 doi "https://doi.org/10.1016/s0375-9601(02)01415-9" @default.
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