Elucidation of crystal and electronic structures within highly strained BiFeO 3 by transmission electron microscopy and first-principles simulation

In Tae Bae, András Kovács, Hong Jian Zhao, Jorge Íñiguez, Shintaro Yasui, Tomohiro Ichinose, Hiroshi Naganuma

Research output: Contribution to journalArticlepeer-review

10 Citations (Scopus)

Abstract

Crystal and electronic structures of ∼380 nm BiFeO3 film grown on LaAlO3 substrate are comprehensively studied using advanced transmission electron microscopy (TEM) technique combined with first-principles theory. Cross-sectional TEM images reveal the BiFeO3 film consists of two zones with different crystal structures. While zone II turns out to have rhombohedral BiFeO3, the crystal structure of zone I matches none of BiFeO3 phases reported experimentally or predicted theoretically. Detailed electron diffraction analysis combined with first-principles calculation allows us to determine that zone I displays an orthorhombic-like monoclinic structure with space group of Cm (=8). The growth mechanism and electronic structure in zone I are further discussed in comparison with those of zone II. This study is the first to provide an experimentally validated complete crystallographic detail of a highly strained BiFeO3 that includes the lattice parameter as well as the basis atom locations in the unit cell.

Original languageEnglish
Article number46498
JournalScientific reports
Volume7
DOIs
Publication statusPublished - 2017 Apr 19

ASJC Scopus subject areas

  • General

Fingerprint Dive into the research topics of 'Elucidation of crystal and electronic structures within highly strained BiFeO 3 by transmission electron microscopy and first-principles simulation'. Together they form a unique fingerprint.

Cite this