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Core-Exciton Interaction in Sodium L-2,L-3 edge Structure Investigated Using the Bethe-Salpeter Equation
University of Tokyo, Japan.
University of Tokyo, Japan.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.
University of Tokyo, Japan.
2016 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 120, no 17, 9036-9042 p.Article in journal (Refereed) PublishedText
Abstract [en]

Despite the importance of sodium compounds for their application in sodium-ion rechargeable batteries, core-exciton interactions in sodium L-2,L-3 edge core-electron loss spectra are not well-understood. In this study, Bethe-Salpeter equation calculations of sodium L-2,L-3 edges of sodium compounds were performed to understand the relationships between the core-exciton interactions and the electronic structure of sodium compounds. It was revealed that the core-exciton interaction of sodium compounds is strongly dependent on the compounds. We found that neither band gap nor ionic charge can explain the trend; however, the transition energy shows a clear correlation to the magnitude of the core-exciton interaction. These results indicate that the magnitude of the core-exciton interaction is decided by the excited electronic structure of each compound.

Place, publisher, year, edition, pages
AMER CHEMICAL SOC , 2016. Vol. 120, no 17, 9036-9042 p.
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-128937DOI: 10.1021/acs.jpcc.5b12389ISI: 000375631100004OAI: oai:DiVA.org:liu-128937DiVA: diva2:934961
Note

Funding Agencies|Ministry of Education, Culture, Sports, Science and Technology-Japan (MEXT) [25106003, 26630302, 26249092]; LiLi-NFM; Swedish Research Council (VR) [621-2011-4426]

Available from: 2016-06-09 Created: 2016-06-07 Last updated: 2016-06-27

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Olovsson, Weine
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