Ferroelectric domains and diffuse transitions in ultrathin films of PbTiO3: Effects of strain and electrodes

Summayya Kouser, Takeshi Nishimatsu, Umesh V. Waghmare

研究成果: Article査読

7 被引用数 (Scopus)

抄録

We determine strain-temperature phase diagrams that map the stability of ferroelectric ordering and domains in nanothin (1.6-20 nm) films of PbTiO 3 using molecular dynamics based on a first-principles model Hamiltonian. The ferroelectric domain structure is shown to depend sensitively on the epitaxial strain and the nature of the electrodes that screen the surface charges of a ferroelectric. We show that a broad peak in the dielectric response as a function of temperature marks a diffuse transition to a flux closure stripe-domain structure in the ultrathin films with incomplete screening of charges at their interface with the electrode. We demonstrate that the strain-phonon coupling is fundamental to the stability and topology of such a domain structure, which can be engineered at the nanoscale with a suitable choice of electrodes and substrate, and used in ultrahigh-density memory chips.

本文言語English
論文番号064102
ジャーナルPhysical Review B - Condensed Matter and Materials Physics
88
6
DOI
出版ステータスPublished - 2013 8月 21

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学

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