Volume 19, Issue 9 (2019)                   Modares Mechanical Engineering 2019, 19(9): 2149-2154 | Back to browse issues page

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Araghi H, Nemati Asl Y. Study of the Strain - Stress Effect on Ferroelectric Behaviors of PbTiO3. Modares Mechanical Engineering. 2019; 19 (9) :2149-2154
URL: http://journals.modares.ac.ir/article-15-22844-en.html
1- Physics Department, Energy Engineering & Physics Faculty, Amirkabir University of Technology, Tehran, Iran , araghi@aut.ac.ir
2- Physics Department, Energy Engineering & Physics Faculty, Amirkabir University of Technology, Tehran, Iran
Abstract:   (117 Views)

Leed titanate as an ionic Perovskite is ferroelectric at the lower of the below 766 K, which is called the transition temperature (Curie temperature), and at the above of this temperature is in the paraelectric phase. Studying the influence of mechanical parameters on the ferroelectric properties of PbTiO3 is important in the industrial application (such as RAM) of PbTiO3. In this study, using the molecular dynamics simulation method, the stress-strain effects on the polarization of lead titanate in the ferroelectric phase have been investigated. For modeling the atomic potential and interactions between ions in the ferroelectric phase, the short-range Buckingham potential and long-range coulombic potential, and, in addition, the fourth-order potential of oscillatory springs using a shell model (a model for calculating the polarization of a system) has been used. In this study, the effects of mechanical stress-strain action in the ferroelectric phase were investigated in two tensile and compression uniaxial stress-strain. In tensile stress-strain mode, the application of external stress leads to an increase in the polarization of the system, while applying compression stress-strain results in the decrease of the polarization of the system, so that by applying stress-strain, the polarization of the system reaches zero.
 

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Received: 2018/07/8 | Accepted: 2019/02/4 | Published: 2019/09/1

References
1. Grünebohm A, Nishimatsu T. Influence of defects on ferroelectric and electrocaloric properties of BaTiO3. Physical Review B. 2016;93:134101. [Link] [DOI:10.1103/PhysRevB.93.134101]
2. Bedoya-Hincapié CM, Ortiz-Álvarez HH, Restrepo-Parra E, Olaya-Flórez JJ, Alfonso JE. Hysteresis loop behaviors of ferroelectric thin films: A Monte Carlo simulation study. Chinese Physics B. 2015;24(11):117701. [Link] [DOI:10.1088/1674-1056/24/11/117701]
3. Qi Y, Liu S, Grinberg I, Rappe AM. Atomistic description for temperature-driven phase transitions in BaTiO3. Physical Review B. 2016;94:134308. [Link] [DOI:10.1103/PhysRevB.94.134308]
4. Asthagiri A, Wu Z, Choudhury N, Cohen RE. Advances in first-principles studies of transducer materials. Ferroelectrics. 2006;333(1):69-78. [Link] [DOI:10.1080/00150190600695750]
5. Behera RK, Hinojosa BB, Sinnott SB, Asthagiri A, Phillpot SR. Coupling of surface relaxation and polarization in PbTiO3 from atomistic simulation. Journal of Physics Condensed Matter. 2008;20(39):395004. [Link] [DOI:10.1088/0953-8984/20/39/395004]
6. Sepliarsky M, Asthagiri A, Phillpot SR, Stachiotti MG, Migoni RL. Atomic-level simulation of ferroelectricity in oxide materials. Current Opinion in Solid State and Materials Science. 2005;9(3):107-113. [Link] [DOI:10.1016/j.cossms.2006.05.002]
7. Shimada T, Wakahara K, Umeno Y, Kitamura T. Shell model potential for PbTiO3 and its applicability to surfaces and domain walls. Journal of Physics Condensed Matter. 2008;20(32):325225. [Link] [DOI:10.1088/0953-8984/20/32/325225]
8. Sepliarsky M, Wu Z, Asthagiri A, Cohen RE. Atomistic model potential for PbTiO3 and PMN by fitting first principles results. Ferroelectrics. 2004;301(1):55-59. [Link] [DOI:10.1080/00150190490454882]
9. Kim MC, Lee SG, Joh C, Seo HS. First-principles predictions of structures and piezoelectric properties of PbTiO3 single crystal. Transactions on Electrical and Electronic Materials. 2016;17(1):29-32. [Link] [DOI:10.4313/TEEM.2016.17.1.29]
10. Vielma JM, Schneider G. Shell model of BaTiO3 derived from ab-initio total energy calculations. Journal of Applied Physics. 2013;114(17):174108. [Link] [DOI:10.1063/1.4827475]

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