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Applied Physics Letters / Volume 93 / Issue 24 / DIELECTRICS AND FERROELECTRICITY

Appl. Phys. Lett. 93, 242905 (2008); http://dx.doi.org/10.1063/1.3040326 (3 pages)

Polarization switching in epitaxial films of BaTiO3: A molecular dynamics study

Jaita Paul1, Takeshi Nishimatsu2, Yoshiyuki Kawazoe2, and Umesh V. Waghmare1

1TSU, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur PO, Bangalore 560 064, India
2Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan

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(Received 31 May 2008; accepted 12 November 2008; published online 18 December 2008)

We use molecular dynamics simulations with a first-principles model Hamiltonian to study polarization switching in ultrathin epitaxial films of BaTiO3 sandwiched by ideal electrodes as a function of temperature and epitaxial strain. We find that the coercive fields of polarization switching reduce with tensile epitaxial strain and as temperature increases up to the transition, and depend sensitively on the nature of the epitaxial constraint. Our results should be directly relevant to the design of high frequency ferroelectric random access memories made with ultrathin epitaxial ferroelectric films.

© 2008 American Institute of Physics

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KEYWORDS and PACS

Keywords

barium compounds, dielectric polarisation, electrodes, epitaxial layers, ferroelectric storage, ferroelectric switching, ferroelectric thin films, ferroelectric transitions, molecular dynamics method, random-access storage, tensile strength

PACS

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3040326

PUBLICATION DATA

ISSN

0003-6951 (print)  
1077-3118 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

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