A bond-valence approach to one-dimensional ferroelectrics

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Abstract
The bond-valence method is applied to three families of crystal structures which are capable of exhibiting ferroelectricity: perovskites, tungsten bronzes and lithium niobate-related compounds. A correlation is found between cationic valence deviation and the occurrence of ferroelectricity. Further, in the perovskites, of formula ABO3, the calculated valence surplus of the A-ions and valence deficiency of the B-ions is evidence of a coupling between unit cells in the structure. This coupling is seen to be important in determining the dielectric response of complex perovskite ceramics. By postulating the existence of ferroelectrically active and inactive cations, a rationalisation is made of normal ferroelectric, ‘relaxor’ and microwave dielectric responses. The potential of the technique in designing new ferroelectric materials is also evaluated.

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