ChemInform Abstract: Modulated Crystal Structure and Electronic Properties of Semiconductor Cu47Si91P144.
Abstract
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ChemInform Abstract
Single crystals of the title compound are grown from the elements by chemical vapor transport reaction using I2 as transport agent (evacuated silica tube, 900→800 °C, 10 d). Single crystal XRD reveals a large superstructure and a basic tetragonal substructure. Cu47Si91P144 crystallizes in the space group I
m2 with Z = 1. The compound is a semiconductor with a small band gap of 0.0269 eV. Results of extended Hueckel tight binding band structure calculations are given and the electronic properties are discussed in terms of Anderson localization of the states.
