Interconversion of intrinsic defects in SrTiO3(001)

被引：21

作者：

Chambers, S. A. ^{[1
]}

Du, Y. ^{[1
]}

Zhu, Z. ^{[1
]}

Wang, J. ^{[1
]}

Wahila, M. J. ^{[2
]}

Piper, L. F. J. ^{[2
]}

Prakash, A. ^{[3
]}

Yue, J. ^{[3
]}

Jalan, B. ^{[3
]}

Spurgeon, S. R. ^{[1
]}

Kepaptsoglou, D. M. ^{[4
,5
,6
]}

Ramasse, Q. M. ^{[4
,7
,8
]}

Sushko, P., V ^{[1
]}

机构：

[1] Pacific Northwest Natl Lab, Richland, WA 99352 USA

[2] Binghamton Univ, Dept Phys, Binghamton, NY 13902 USA

[3] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA

[4] SuperSTEM, SciTech Daresbury Campus, Daresbury WA4 4AD, England

[5] Univ York, Jeol Nanoctr, York YO10 5BR, N Yorkshire, England

[6] Univ York, Dept Phys, York YO10 5BR, N Yorkshire, England

[7] Univ Leeds, Sch Chem & Proc Engn, Leeds LS2 9JT, W Yorkshire, England

[8] Univ Leeds, Sch Phys, Leeds LS2 9JT, W Yorkshire, England

来源：

PHYSICAL REVIEW B | 2018年 / 97卷 / 24期

基金：

美国国家科学基金会; 英国工程与自然科学研究理事会;

关键词：

ELECTRON-ENERGY-LOSS; STRONTIUM-TITANATE; SURFACE; SIMULATION; LIQUID; SPECTROSCOPY; RETARDATION; CRYSTALS; LOSSES; MODEL;

D O I：

10.1103/PhysRevB.97.245204

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Photoemission features associated with states deep in the band gap of n-SrTiO3(001) are found to be ubiquitous in bulk crystals and epitaxial films. These features are present even when there is little signal near the Fermi level. Analysis reveals that these states are deep-level traps associated with defects. The commonly investigated defects-O vacancies, Sr vacancies, and aliovalent impurity cations on the Ti sites-cannot account for these features. Rather, ab initio modeling points to these states resulting from interstitial oxygen and its interaction with donor electrons.

引用

页数：11

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[1] COMPUTER-SIMULATION STUDIES OF STRONTIUM-TITANATE [J].