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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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