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PMID: 27106633 已发表 · aheadofprint 英语

Strong excitonic interactions in the oxygen K-edge of perovskite oxides.

Ultramicroscopy ·0000-00-00

Tomita Kota, Miyata Tomohiro, Olovsson Weine, Mizoguchi Teruyasu

摘要

Excitonic interactions of the oxygen K-edge electron energy-loss near-edge structure (ELNES) of perovskite oxides, CaTiO, SrTiO, and BaTiO, together with reference oxides, MgO, CaO, SrO, BaO, and TiO, were investigated using a first-principles Bethe-Salpeter equation calculation. Although the transition energy of oxygen K-edge is high, strong excitonic interactions were present in the oxygen K-edge ELNES of the perovskite oxides, whereas the excitonic interactions were negligible in the oxygen K-edge ELNES of the reference compounds. Detailed investigation of the electronic structure suggests that the strong excitonic interaction in the oxygen K-edge ELNES of the perovskite oxides is caused by the directionally confined, low-dimensional electronic structure at the Ti-O-Ti bonds.

关键词
Electron energy-loss near-edge structure Exciton First principles calculation Oxygen K-edge Perovskite oxides
文献信息
期刊
Ultramicroscopy
期刊简称
Ultramicroscopy
发表日期
0000-00-00
收录日期
2016-04-23
更新日期
2016-04-24
语言
英语
国家/地区
Netherlands
NLM ID
7513702
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