Research Papers in Physics and Astronomy


Date of this Version



Published in Physical Review B Volume 38, Number 4, 1 August 1988. Copyright © 1988 The American Physical Society. Used by permission.


The promotion yet prevention of structural stability in the paraelectric phase of Rb2ZnCl4 by ionic polarizability is explored with both constant-lattice and variable-lattice simulations. As many as 168 ions ( 3 x 1 x 2 cells) under periodic boundary constraints are allowed to polarize in nonlinear response to forces which are obtained from the electron-gas model of Gordon and Kim. No assumption about the rigidity of the ZnCl42- ion is made. The cause of polarization catastrophe in linear models is examined, and a cure is implemented via nonlinearity of the dipole moment versus field strength. Among the observations are a soliton and cell-multiplying instabilities against rotations and translations of the ZnC142- ions.

Included in

Physics Commons