Abstract
Ionic and electronic polarisabilities in tungsten trioxide are estimated theoretically. The electronic polarisability of the O2- ion is found to be about 10*10-3 nm3. This is very large compared with the electronic polarisation of oxygen in other related compounds and is found to contribute about 87% to the total polarisation of tungsten trioxide. The correlation between the electronic polarisability of a W6+ ion in the free state and polarisabilities of ions in tungsten trioxide is investigated. It is found that changes in free-ion W6+ values do not significantly alter the polarisabilities of ions in the crystal. The way in which the polarisabilities vary as the dielectric constant varies between limits of 1200 and 12 in crystals containing populations of oxygen vacancies is also investigated and found not to be of significance. The possible connection between polarisabilities and defect structure formation in non-stoichiometric tungsten trioxide is discussed.
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