Abstract
A study of the electronic structure of solid metal borides with the AlB/sub 2/ structure type is presented. The interaction of the orbitals of the transition metal with those of a planar, graphite-like net of boron atoms and the interaction with those of other metals are both important in influencing the properties of the species. It is suggested that the experimentally observed variation in the heat of formation of these species is crucially dependent upon the extent of occupation of the metal-boron orbital set. In addition it appears that the puckering of the boron net in ReB/sub 2/ and RuB/sub 2/ structures is due not to the obvious effects of charge transfer but to strong metal-metal repulsions perpendicular to the nonmetal sheets. In AlB/sub 2/ itself the strongest interactions are between the boron atoms which attain a graphite-like electron count with its associated structural stability.
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