Temperature-dependent dielectric response of BaTiO3 from first principles

Details Temperature-dependent dielectric response of BaTiO3 from first principles Temperature-dependent dielectric response of BaTiO3 from first principles

1998-02-19

arxiv.org/abs/cond-mat/9802208v1

Physics

Condensed Matter

Materials Science

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

Scientific paper

10.1063/1.56280

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.

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