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Temperature-dependent dielectric response ofBaTiO3from first principles

 

作者: Alberto Garcı´a,   David Vanderbilt,  

 

期刊: AIP Conference Proceedings  (AIP Available online 1998)
卷期: Volume 436, issue 1  

页码: 53-60

 

ISSN:0094-243X

 

年代: 1998

 

DOI:10.1063/1.56280

 

出版商: AIP

 

数据来源: AIP

 

摘要:

Monte Carlo simulations with an effective Hamiltonian parametrized from first principles are performed to study the dielectric response ofBaTiO3as 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. ©1998 American Institute of Physics.

 

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