Condensed Matter, abstract
cond-mat/9802208

From: David Vanderbilt <dhv@physics.rutgers.edu>
Date: Thu, 19 Feb 1998 16:37:42 GMT   (34kb)

Temperature-dependent dielectric response of BaTiO3 from first principles

Authors: Alberto Garcia (Departmento de Fisica Aplicada II, Universidad del Pais Vasco, Bilbao, Spain), David Vanderbilt (Department of Physics and Astronomy, Rutgers University)
Comments: 8 pages with 4 postscript figures embedded. Uses aipproc and epsf macros. Also available at this http URL
Subj-class: Materials Science

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.

Paper: Source (34kb), PostScript, or Other formats