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	The Polarization Properties in Ferroelectric Nanofilms Investigated by Molecular Dynamics Simulation
	Fang, Daining ; Sang, Yongliang
	2010-10-12 ; 2010-10-12
关键词	Ferroelectric Molecular Dynamics Simulation Nanofilms Shell Model LATTICE-DYNAMICS BATIO3 FILMS THICKNESS MEMORIES MODEL Chemistry, Multidisciplinary Nanoscience & Nanotechnology Materials Science, Multidisciplinary Physics, Applied Physics, Condensed Matter
中文摘要	The polarization switching and strain effects on the ferroelectric characters of BaTiO3 films are studied using molecular dynamics method based on a shell model. We observed the strip domains and the polarization switching in nanofilms, and found that the surface and inner polarization switch under the same electric field, although the surface polarization is weaker than the inner value. The strain effect is also studied from microscopic view. It is found that crystal cell distortions due to the in-plane strain will aggravate or relieve the separation of negative and positive charge centers. As a result, the in-plane strains can significantly influence the spontaneous polarization and even critical thickness of ferroelectric films. A logarithm relation between the in-plane strains and spontaneous polarizations is obtained via our simulations. A quantitative relation between the in-plane strains and critical thicknesses is also given out and then compared with Landau-Ginzburg theory, which displays a good agreement. This provides a possible interpretation on the discrepancies among the experimental measurements of the critical thicknesses.
语种	英语 ; 英语
出版者	AMER SCIENTIFIC PUBLISHERS ; STEVENSON RANCH ; 25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA
内容类型	期刊论文
源URL	[http://hdl.handle.net/123456789/79170]
专题	清华大学
推荐引用方式 GB/T 7714	Fang, Daining,Sang, Yongliang. The Polarization Properties in Ferroelectric Nanofilms Investigated by Molecular Dynamics Simulation[J],2010, 2010.
APA	Fang, Daining,&Sang, Yongliang.(2010).The Polarization Properties in Ferroelectric Nanofilms Investigated by Molecular Dynamics Simulation..
MLA	Fang, Daining,et al."The Polarization Properties in Ferroelectric Nanofilms Investigated by Molecular Dynamics Simulation".(2010).

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