DOI: 10.1063/1.121514. Electromechanical behavior of BaTiO3 from first principles

Electromechanical behavior of BaTiO3 from first principles

10.1063/1.121514

Crossref journal-article

AIP Publishing

Applied Physics Letters (317)

Abstract

Using an effective Hamiltonian parametrized from first principles, Monte Carlo simulations are performed in order to study the piezoelectric response of BaTiO3 in 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.

Bibliography

GarcÃa, A., & Vanderbilt, D. (1998). Electromechanical behavior of BaTiO3 from first principles. Applied Physics Letters, 72(23), 2981â2983.

Authors 2

Alberto García (first)
David Vanderbilt (additional)

References 18 Referenced 109

10.1063/1.365983 / J. Appl. Phys. (1997)
{'key': '2024020314315022400_r1a', 'first-page': 'S1290', 'volume': '32', 'year': '1998', 'journal-title': 'J. Korean Phys. Soc.'} / J. Korean Phys. Soc. (1998)
10.1103/PhysRevLett.62.2853 / Phys. Rev. Lett. (1989)
10.1103/PhysRevB.56.R10024 / Phys. Rev. B (1997)
{'key': '2024020314315022400_r2b'}
10.1103/PhysRevLett.73.1861 / Phys. Rev. Lett. (1994)
10.1103/PhysRevB.52.6301 / Phys. Rev. B (1995)
{'key': '2024020314315022400_r4'}
{'key': '2024020314315022400_r5'}
{'key': '2024020314315022400_r6'}
10.1103/PhysRevB.41.7892 / Phys. Rev. B (1990)
{'key': '2024020314315022400_r8'}
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{'key': '2024020314315022400_r10'}
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Dates

Type	When
Created	23 years ago (July 26, 2002, 8:38 a.m.)
Deposited	1 year, 6 months ago (Feb. 3, 2024, 9:32 a.m.)
Indexed	1 day, 10 hours ago (Aug. 20, 2025, 8:21 a.m.)
Issued	27 years, 2 months ago (June 8, 1998)
Published	27 years, 2 months ago (June 8, 1998)
Published Print	27 years, 2 months ago (June 8, 1998)

Funders 0

None

BibTeX

@article{Garc_a_1998, title={Electromechanical behavior of BaTiO3 from first principles}, volume={72}, ISSN={1077-3118}, url={http://dx.doi.org/10.1063/1.121514}, DOI={10.1063/1.121514}, number={23}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={García, Alberto and Vanderbilt, David}, year={1998}, month=jun, pages={2981–2983} }

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