期刊
APPLIED PHYSICS LETTERS
卷 94, 期 20, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3139767
关键词
ab initio calculations; defect states; energy gap; ferroelectric materials; ferroelectric thin films; light transmission; strontium compounds; vacancies (crystal); X-ray absorption spectra
资金
- MOST/KOSEF
- KOSEF through the ARP [R17-2008-033-01000-0]
- National Research Foundation of Korea [2008-56529, 과06A1102, 2008-0060612] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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 SrTiO3 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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