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Localized electronic states induced by defects and possible origin of ferroelectricity in strontium titanate thin films

Authors
Kim, Y. S.Kim, J.Moon, S. J.Choi, W. S.Chang, Y. J.Yoon, J. -G.Yu, J.Chung, J. -S.Noh, T. W.
Issue Date
18-May-2009
Publisher
AMER INST PHYSICS
Keywords
ab initio calculations; defect states; energy gap; ferroelectric materials; ferroelectric thin films; light transmission; strontium compounds; vacancies (crystal); X-ray absorption spectra
Citation
APPLIED PHYSICS LETTERS, v.94, no.20
Journal Title
APPLIED PHYSICS LETTERS
Volume
94
Number
20
URI
http://scholarworks.bwise.kr/ssu/handle/2018.sw.ssu/15836
DOI
10.1063/1.3139767
ISSN
0003-6951
Abstract
Several defect configurations including oxygen vacancies have been investigated as possible origins of the reported room-temperature ferroelectricity of strontium titanate (STO) thin films [Y. S. Kim , Appl. Phys. Lett. 91, 042908 (2007)]. First-principles calculations revealed that the Sr-O-O vacancy complexes create deep localized states in the band gap of SrTiO(3) without affecting its insulating property. These results are consistent with electronic structural changes determined from optical transmission and x-ray absorption measurements. Our work suggests importance of oxygen vacancies and their complexes in understanding of electronic properties of perovskite oxide thin films, including STO.
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