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

被引：87

作者：

Kim, Y. S. ^{[1
,2
]}

Kim, J. ^{[2
,3
]}

Moon, S. J. ^{[1
,2
]}

Choi, W. S. ^{[1
,2
]}

Chang, Y. J. ^{[1
,2
]}

Yoon, J. -G. ^{[4
]}

Yu, J. ^{[2
,3
]}

Chung, J. -S. ^{[5
]}

Noh, T. W. ^{[1
,2
]}

机构：

[1] Seoul Natl Univ, ReCOE, Dept Phys & Astron, Seoul 151747, South Korea

[2] Seoul Natl Univ, FPRD, Seoul 151747, South Korea

[3] Seoul Natl Univ, CSCMR, Dept Phys & Astron, Seoul 151747, South Korea

[4] Univ Suwon, Dept Phys, Kyonggi Do 445743, South Korea

[5] Soongsil Univ, Dept Phys, Kyonggi Do 156743, South Korea

来源：

APPLIED PHYSICS LETTERS | 2009年 / 94卷 / 20期

基金：

新加坡国家研究基金会;

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; SRTIO3;

D O I：

10.1063/1.3139767

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

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.

引用

页数：3

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