Proton tunneling and nonlinear polarizability effects in hydrogen-bonded ferroelectrics
Faculty of Sciences. Physics
AIP conference proceedings / American Institute of Physics. - New York
5th Williamsburg Workshop on 1st-Principles Calculations for, Ferroelectrics, FEB 01-04, 1998, WILLIAMSBURG, VA
, p. 202-206
University of Antwerp
Hydrogen-bonded ferroelectrics are modelled by a coupled spin/nonlinear lattice (polarizability) interaction Hamiltonian, where specifically the geometry of the hydrogen bond is included. The model leads to a structural phase transition and describes correctly the isotope effect due to the substitution H/D in hydrogen-bonded systems in terms of bond length changes.