Strong excitonic interactions in the oxygen K-edge of perovskite oxides
2017 (English)In: Ultramicroscopy, ISSN 0304-3991, E-ISSN 1879-2723, Vol. 178, p. 105-111Article in journal (Refereed) Published
Abstract [en]
Excitonic interactions of the oxygen IC edge electron energy-loss near-edge structure (ELNES) of perovskite oxides, CaTiO3, SrTiO3, and BaTiO3, together with reference oxides, MgO, CaO, SrO, BaO, and TiO2, 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 IC 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. (C) 2016 Elsevier B.V. All rights reserved.
Place, publisher, year, edition, pages
ELSEVIER SCIENCE BV , 2017. Vol. 178, p. 105-111
Keywords [en]
Electron energy-loss near-edge structure; First principles calculation; Exciton; Perovskite oxides; Oxygen K-edge
National Category
Inorganic Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-139265DOI: 10.1016/j.ultramic.2016.04.006ISI: 000403862900013PubMedID: 27106633OAI: oai:DiVA.org:liu-139265DiVA, id: diva2:1120989
Conference
15th Conference on Frontiers of Electron Microscopy in Materials Science (FEMMS)
Note
Funding Agencies|Mitsubishi Science Foundation [27143]; MEXT [25106003, 26630302, 26249092]; Japan Society for the Promotion of Science [155500000176]; LiLi-NFM; Swedish Research Council (VR) [621-2011-4426]
2017-07-072017-07-072020-09-15