Electromechanical behavior ofBaTiO3from first principles
作者:
Alberto Garci´a,
David Vanderbilt,
期刊:
Applied Physics Letters
(AIP Available online 1998)
卷期:
Volume 72,
issue 23
页码: 2981-2983
ISSN:0003-6951
年代: 1998
DOI:10.1063/1.121514
出版商: AIP
数据来源: AIP
摘要:
Using an effective Hamiltonian parametrized from first principles, Monte Carlo simulations are performed in order to study the piezoelectric response ofBaTiO3in 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. ©1998 American Institute of Physics.
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