Electromechanical behavior of BaTiO3 from first principles

Preprint

29 December 1997

preprint
Published by arXiv in arXiv

https://doi.org/10.48550/arXiv.cond-mat/9712312

Abstract

Using an effective Hamiltonian parametrized from first principles, Monte Carlo simulations are performed in order to study the piezoelectric response of BaTiO3 in the ferroelectric tetragonal phase as a function of temperature. The effect of an electric field on the phase behavior is also illustrated by a simulation of the transformation of a rhombohedral domain into a tetragonal one under a strong field.

Keywords

ELECTROMECHANICAL BEHAVIOR
MONTE CARLO SIMULATIONS
PIEZOELECTRIC RESPONSE
ELECTRIC FIELD
FERROELECTRIC
TETRAGONAL
BATIO3

All Related Versions

Version 1, 1997-12-29, ArXiv
Published version: Applied Physics Letters, 72 (23), 2981.

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