Electronic structure and resistivity of liquid 3D chalcogenides

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Abstract
The electronic structure of CoTe, NiTe and NiSe has been calculated using the local approximation to density functional theory. The calculations were performed using the LMTO method. It is argued that the results can be regarded as a first approximation to the electronic structure of the liquids. Bonding and the role of charge transfer are discussed. Resistivity ratios are calculated on the basis of a simple model and shown to in excellent agreement with experiment.