Temperature-dependent dielectric response of BaTiO3 from first principles

Abstract

Monte Carlo simulations with an effective Hamiltonian parametrized from first principles are performed to study the dielectric response of BaTiO3 as a function of temperature, with particular emphasis on the behavior of the dielectric constant near the transition from the ferroelectric tetragonal phase to the paraelectric cubic phase.

8 pages with 4 postscript figures embedded. Uses aipproc and epsf macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/index.html#ag_w98

Cited by in corpus (1)

• Thermodynamics and dielectric response of ${\text{BaTiO}}_3$ by data-driven modeling