title: Impact of local strain on Ti-L₂,₃ electron energy-loss near-edge structures of BaTiO₃: a first-principles multiplet study.
abstract: Identification of local strains is crucial because the local strains largely influence the ferroelectric property of BaTiO₃. The effects of local strains induced by external pressures on the Ti-L₂,₃ electron energy-loss near-edge structure (ELNES) of BaTiO₃ were theoretically investigated using first-principles multiplet calculations. We revealed that the effects appear in the position of the spectral threshold, namely the spectrum shifts to lower and higher energy sides by the tensile and compressive pressures, respectively. We concluded that conventional ELNES observations can identify only large strains induced by -10 GPa, and 0.1 eV energy resolution is required to identify ±2% of strains.
authors.affiliation: Advanced Technology Development Center, TDK Corporation, 2-15-7 Higashi-Ohwada, Ichikawa-shi, Chiba 272-8558, Japan Institute of Industrial Science, The University of Tokyo 4-6-1, Komaba, Meguro, Tokyo 153-8505, Japan sootsuki@jp.tdk.com teru@iis.u-tokyo.ac.jp.
authors.forename: Shirou
authors.initials: S
authors.lastname: Ootsuki
authors.affiliation: Nanoscience and Nanotechnology Research Center, Research Organization for 21st Century, Osaka Prefecture University, 1-2 Gakuen-cho, Naka-ku, Sakai, Osaka 599-8570, Japan.
authors.forename: Hidekazu
authors.initials: H
authors.lastname: Ikeno
authors.affiliation: Advanced Technology Development Center, TDK Corporation, 2-15-7 Higashi-Ohwada, Ichikawa-shi, Chiba 272-8558, Japan.
authors.forename: Yuji
authors.initials: Y
authors.lastname: Umeda
authors.affiliation: Advanced Technology Development Center, TDK Corporation, 2-15-7 Higashi-Ohwada, Ichikawa-shi, Chiba 272-8558, Japan.
authors.forename: Yu
authors.initials: Y
authors.lastname: Yonezawa
authors.affiliation: Nanostructure Research Laboratory, Japan Fine Ceramics Center, Nagoya 456-8587, Japan.
authors.forename: Hiroki
authors.initials: H
authors.lastname: Moriwake
authors.affiliation: Nanostructure Research Laboratory, Japan Fine Ceramics Center, Nagoya 456-8587, Japan.
authors.forename: Akihide
authors.initials: A
authors.lastname: Kuwabara
authors.affiliation: Advanced Technology Development Center, TDK Corporation, 2-15-7 Higashi-Ohwada, Ichikawa-shi, Chiba 272-8558, Japan.
authors.forename: Osamu
authors.initials: O
authors.lastname: Kido
authors.affiliation: Advanced Technology Development Center, TDK Corporation, 2-15-7 Higashi-Ohwada, Ichikawa-shi, Chiba 272-8558, Japan.
authors.forename: Satoko
authors.initials: S
authors.lastname: Ueda
authors.affiliation: Nanostructure Research Laboratory, Japan Fine Ceramics Center, Nagoya 456-8587, Japan Department of Materials Science and Engineering, Kyoto University, Yoshida, Sakyo, Kyoto 606-8501, Japan.
authors.forename: Isao
authors.initials: I
authors.lastname: Tanaka
authors.affiliation: Advanced Technology Development Center, TDK Corporation, 2-15-7 Higashi-Ohwada, Ichikawa-shi, Chiba 272-8558, Japan.
authors.forename: Yoshinori
authors.initials: Y
authors.lastname: Fujikawa
authors.affiliation: Institute of Industrial Science, The University of Tokyo 4-6-1, Komaba, Meguro, Tokyo 153-8505, Japan sootsuki@jp.tdk.com teru@iis.u-tokyo.ac.jp.
authors.forename: Teruyasu
authors.initials: T
authors.lastname: Mizoguchi
keywords: BaTiO3; Ti-L2,3; a first-principles multiplet calculation; electron energy-loss near-edge structures; perovskite; strain