Abstract
Ferroelectric thin films are beginning to see wide-ranging applications, for example in multilayer capacitors, nonvolatile FeRAMs,
and nanoactuators. Here, we explain how the fast molecular dynamics (MD) method for simulating a first-principles
effective Hamiltonian can be applied to study ferroelectric thin-film
capacitor structures with short-circuited electrodes or external
electric fields.
This new MD method can simulate perovskite-type ferroelectric thin-film capacitors
with dead layers and
consequent depolarization fields.
You can download this simulator from http://loto.sf.net/feram/ .
