Hysteresis loop behaviors of ferroelectric thin films: A Monte Carlo simulation study

doi:10.1088/1674-1056/24/11/117701

中国物理B ›› 2015, Vol. 24 ›› Issue (11): 117701-117701.doi: 10.1088/1674-1056/24/11/117701

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇下一篇

Hysteresis loop behaviors of ferroelectric thin films: A Monte Carlo simulation study

C. M. Bedoya-Hincapié^{a b}, H. H. Ortiz-Álvarez^{a c}, E. Restrepo-Parra^a, J. J. Olaya-Flórez^d, J. E. Alfonso^e

a PCM Computational Applications, Universidad Nacional de Colombia, sede Manizales, Manizales-Colombia;
b Univesidad Santo Tomás, Bogotá-Colombia;
c Universidad de Caldas, Manizales-Colombia;
d AFIS Análisis de Fallas, Integridad y Superficies, Universidad Nacional de Colombia, sede Bogotá, Bogotá-Colombia;
e Grupo de Ciencia de Materiales y superficies, Departamento de Física, Universidad Nacional de Colombia, sede Bogotá, Bogotá-Colombia

收稿日期:2015-05-03 修回日期:2015-07-21 出版日期:2015-11-05 发布日期:2015-11-05
通讯作者: C. M. Bedoya-Hincapié E-mail:cmbedoyahi@unal.edu.co
基金资助:
Project sponsored by the research departments of the Universidad Nacional de Colombia DIMA and DIB under Project 201010018227-“Crecimiento y caracterización eléctrica y estructural de películas delgadas de BixTiyOz producidas mediante Magnetrón Sputtering” and Project 12920-“Desarrollo teórico-experimental de nanoestructuras basadas en Bismuto y materiales similares” and “Bisnano Project.”

Hysteresis loop behaviors of ferroelectric thin films: A Monte Carlo simulation study

C. M. Bedoya-Hincapié^{a b}, H. H. Ortiz-Álvarez^{a c}, E. Restrepo-Parra^a, J. J. Olaya-Flórez^d, J. E. Alfonso^e

a PCM Computational Applications, Universidad Nacional de Colombia, sede Manizales, Manizales-Colombia;
b Univesidad Santo Tomás, Bogotá-Colombia;
c Universidad de Caldas, Manizales-Colombia;
d AFIS Análisis de Fallas, Integridad y Superficies, Universidad Nacional de Colombia, sede Bogotá, Bogotá-Colombia;
e Grupo de Ciencia de Materiales y superficies, Departamento de Física, Universidad Nacional de Colombia, sede Bogotá, Bogotá-Colombia

Received:2015-05-03 Revised:2015-07-21 Online:2015-11-05 Published:2015-11-05
Contact: C. M. Bedoya-Hincapié E-mail:cmbedoyahi@unal.edu.co
Supported by:
Project sponsored by the research departments of the Universidad Nacional de Colombia DIMA and DIB under Project 201010018227-“Crecimiento y caracterización eléctrica y estructural de películas delgadas de BixTiyOz producidas mediante Magnetrón Sputtering” and Project 12920-“Desarrollo teórico-experimental de nanoestructuras basadas en Bismuto y materiales similares” and “Bisnano Project.”

摘要/Abstract

摘要： The ferroelectric response of bismuth titanate Bi₄Ti₃O₁₂ (BIT) thin film is studied through a Monte Carlo simulation of hysteresis loops. The ferroelectric system is described by using a Diffour Hamiltonian with three terms: the electric field applied in the z direction, the nearest dipole-dipole interaction in the transversal (x-y) direction, and the nearest dipole-dipole interaction in the direction perpendicular to the thin film (the z axis). In the sample construction, we take into consideration the dipole orientations of the monoclinic and orthorhombic structures that can appear in BIT at low temperature in the ferroelectric state. The effects of temperature, stress, and the concentration of pinned dipole defects are assessed by using the hysteresis loops. The results indicate the changes in the hysteresis area with temperature and stress, and the asymmetric hysteresis loops exhibit evidence of the imprint failure mechanism with the emergence of pinned dipolar defects. The simulated shift in the hysteresis loops conforms to the experimental ferroelectric response.

关键词: ferroelectrics, bismuth titanate, hysteresis loop, dipolar defects

Abstract: The ferroelectric response of bismuth titanate Bi₄Ti₃O₁₂ (BIT) thin film is studied through a Monte Carlo simulation of hysteresis loops. The ferroelectric system is described by using a Diffour Hamiltonian with three terms: the electric field applied in the z direction, the nearest dipole-dipole interaction in the transversal (x-y) direction, and the nearest dipole-dipole interaction in the direction perpendicular to the thin film (the z axis). In the sample construction, we take into consideration the dipole orientations of the monoclinic and orthorhombic structures that can appear in BIT at low temperature in the ferroelectric state. The effects of temperature, stress, and the concentration of pinned dipole defects are assessed by using the hysteresis loops. The results indicate the changes in the hysteresis area with temperature and stress, and the asymmetric hysteresis loops exhibit evidence of the imprint failure mechanism with the emergence of pinned dipolar defects. The simulated shift in the hysteresis loops conforms to the experimental ferroelectric response.

Key words: ferroelectrics, bismuth titanate, hysteresis loop, dipolar defects

中图分类号: (Other ferroelectric films)

77.55.fp

77.80.Dj (Domain structure; hysteresis) 61.72.jd (Vacancies)

C. M. Bedoya-Hincapié, H. H. Ortiz-Álvarez, E. Restrepo-Parra, J. J. Olaya-Flórez, J. E. Alfonso. Hysteresis loop behaviors of ferroelectric thin films: A Monte Carlo simulation study[J]. 中国物理B, 2015, 24(11): 117701-117701.

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Hysteresis loop behaviors of ferroelectric thin films: A Monte Carlo simulation study

Hysteresis loop behaviors of ferroelectric thin films: A Monte Carlo simulation study

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