Electronic structure and resistivity of liquid 3D chalcogenides
Barnes, Adrian C
- Publisher: IoP Publishing Ltd
The electronic structure of CoTe. NiTe and NiSe has been calculated using the local approximation to density functional theory. The calculations \\ere performed usins the Lwo 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. Resistivit! ratios are calculated on the basis of a simple model and sho\sn to be in excellent agreement uith experiment.
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