Synthesis and structural characterization of an Al77 cluster

Article Abstract:

The use of a condensation technique which prepares low-valent polynuclear Al species by disproportionation of aluminium monohalides has made it possible to identify and characterize an Al77 cluster. This is made up of six shells, consisting of 12, 44 and 20 aluminium atoms, 20 nitrogen atoms, 30 silicon atoms and 120 methyl groups. The centre of the cluster is 'bulk-like,' while the remaining 76 Al atoms have lower coordination numbers. This cluster may be regarded as an intermediate species to the formation of the bulk metal.

Aluminum, Aluminum (Metal)

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The inverse band-structure problem of finding an atomic configuration with given electronic properties

Article Abstract:

A theoretical method addressing the problem of finding the atomic configuration of a complex, multi-component system with a target electronic-structure property, is described. The configuration of an A1(sub0.25)Ga(sub0.75)As alloy with the largest optical bandgap is predicted to be a (GaAs)(sub2)(A1As)(sub1)(GaAs)(sub4)(A1As)(sub1) super-lattice oriented in the (201) direction.

Electronic structure

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