論文

査読有り 筆頭著者 責任著者 国際誌
2010年4月16日

Ab initio study of ferroelectric closure domains in ultrathin PbTiO_{3} films

Physical Review B
  • Shimada Takahiro
  • ,
  • Tomoda Shogo
  • ,
  • Kitamura Takayuki

81
14
開始ページ
144116
終了ページ
144116
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1103/physrevb.81.144116
出版者・発行元
The American Physical Society

Ab initio density-functional theory calculations within the local density approximation were conducted to elucidate whether critical thickness for ferroelectricity intrinsically exists in free-standing polydomain PbTiO3 ultrathin films, where there was no screening effect of electrodes. The ferroelectric polydomain state was found to be energetically favorable over the paraelectric state even in the thinnest film one unit-cell thick, indicating no intrinsic critical thickness existed. The ferroelectric distortions in the film were stabilized by the formation of ferromagneticlike closure domains, because the surface charge, which caused a depolarizing field, was sufficiently screened by the in-plane aligned polarization at the surface. Further analysis of the covalent Pb-O bonding structure, which plays a central role in determining ferroelectricity in PbTiO3, revealed that the closure domain structure consists of the 180° as well as 90° domain walls.

リンク情報
DOI
https://doi.org/10.1103/physrevb.81.144116
CiNii Articles
http://ci.nii.ac.jp/naid/120002515190
CiNii Books
http://ci.nii.ac.jp/ncid/AA11187113
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000277210200046&DestApp=WOS_CPL
URL
http://link.aps.org/article/10.1103/PhysRevB.81.144116
URL
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.81.144116/fulltext
ID情報
  • DOI : 10.1103/physrevb.81.144116
  • ISSN : 1098-0121
  • eISSN : 1550-235X
  • CiNii Articles ID : 120002515190
  • CiNii Books ID : AA11187113
  • Web of Science ID : WOS:000277210200046

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