Effect of quadrupolar deformability on off-centre behaviour of Ag+impurities
- 28 June 1976
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 9 (12), 2285-2293
- https://doi.org/10.1088/0022-3719/9/12/011
Abstract
A molecular model allowing relaxation up to second-nearest neighbours and polarization of the negative ions is used to calculate equilibrium configurations of Ag+ substitutional defects in RbCl and RbBr. Including the quadrupolar deformability of the Ag+ ion can lead to an equilibrium configuration of the defect which is off-centre along the (110) axis, with a quadrupolar distortion of the surroundings, in agreement with experiment. Dipole moment and pressure dependence of the defect configuration also agree quite well with experiment. The high-pressure on-centre configuration is predicted to show a quadrupolar distortion.Keywords
This publication has 13 references indexed in Scilit:
- Lattice dynamics of AgBrJournal of Physics C: Solid State Physics, 1976
- Paraelastic properties and reorientation behavior ofoff-centerdefects in RbCl and RbBrPhysical Review B, 1975
- Paraelectric resonance of noncentral ionsSoviet Physics Uspekhi, 1975
- Lattice Dynamics and Anharmonic Effects in AgClPhysica Status Solidi (b), 1974
- Potential ofin NaBrPhysical Review B, 1973
- Covalency and Deformability of Ag+‐Ions in the Lattice Dynamics of Silver HalidesPhysica Status Solidi (b), 1972
- Static and Dynamic Paraelectric Behavior ofOff-CenterIons in RbCl and RbBrPhysical Review B, 1972
- The pressure and temperature derivatives of the elastic constants of AgBr AND AgClJournal of Physics and Chemistry of Solids, 1970
- Theory of Off-Center Displacements in Solid Solutions of Ionic CrystalsPhysical Review B, 1967
- Ionic sizes and born repulsive parameters in the NaCl-type alkali halides—IJournal of Physics and Chemistry of Solids, 1964