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.com
Volume 3, Issue 2
ISSN: 2470-9905
Crystallography 2017
October 16-17, 2017
2
nd
International Conference on
October 16-17, 2017 | Chicago, USA
Applied Crystallography
Elucidation of crystal and electronic structures within highly strained BiFeO3 by transmission electron
microscopy and first-principles simulation
In-Tae Bae
State University of New York at Binghamton, USA
C
rystal and electronic structures of ~380nm BiFeO
3
film grown on LaAlO
3
substrate are comprehensively studied using advanced
transmission electron microscopy (TEM) technique combined with first-principles theory. Cross-sectional TEM images reveal
the BiFeO
3
film consists of two zones with different crystal structures. While zone II turns out to have rhombohedral BiFeO
3
, the
crystal structure of zone I matches none of BiFeO
3
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 BiFeO
3
that includes the lattice parameter as well as the basis atom locations in the unit cell.
itbae@binghamton.eduStruct Chem Crystallogr Commun, 3:2
DOI: 10.21767/2470-9905-C1-003