collaborators

1 paper

cond-mat.mtrl-sci2012

Effective Hamiltonian Methods for Predicting the Electrocaloric Behavior of BaTiO3

S. P. Beckman, L. F. Wan, Jordan A. Barr +1

The perovskite crystal BaTiO3 is modeled using a first-principles based effective Hamiltonian and molecular dynamics simulations are performed to estimate the pyroelectric response…