Configurational model for a one-dimensional ionic conductor

Publisher Website
Google Scholar
Abstract
The static and dynamical properties of a Frenkel-Kontorova model (generalized to arbitrary density of defects) are studied. This system with a constant density of particles is intended to describe a one-dimensional ionic conductor. The dynamic properties are studied within a generalized free-rate theory in configurational space. (Note that this description does not allow for soliton-type transport.) For the case of a piecewise parabolic potential, analytical results are obtained for all the relevant quantities while for a sinusoidal potential numerical results are reported. A refined measurement of the diffuse x-ray scattering for hollandite is presented and interpreted in detail with the above model. This information is then used to compute the effective diffusion barriers and the conductivity that result in good agreement with experiments.