Sažetak sa skupa

Dipolar energy of CN⁻ ions in KCN

I. Vilfan ; J. Stefan Institute, 61001 Ljubljana, Yugoslavia
R. Pirc ; J. Stefan Institute, 61001 Ljubljana, Yugoslavia

Sažetak

We have evaluated the dipolar energy of CN⁻ ions in KCN using a generalized Ewald theta function transformation. In addition to direct electrostatic dipole–dipole interaction, which favors ferroelectric ordering of dipoles, we consider the coupling between CN⁻ dipoles and vibrational displacements of CN⁻ and K⁺ ions. It is argued that the resulting effective interaction has a maximum at the zone boundary, corresponding to antiferroelectric ordering of CN⁻ dipoles, in agreement with experimental observations.

Ključne riječi

Hrčak ID:

340931

URI

https://hrcak.srce.hr/340931

Datum izdavanja:

15.12.1980.

Posjeta: 154 *