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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