Core-Exciton Interaction in Sodium L-2,L-3 edge Structure Investigated Using the Bethe-Salpeter Equation
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
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.
IdentifiersURN: urn:nbn:se:liu:diva-128937DOI: 10.1021/acs.jpcc.5b12389ISI: 000375631100004OAI: oai:DiVA.org:liu-128937DiVA: diva2:934961
Funding Agencies|Ministry of Education, Culture, Sports, Science and Technology-Japan (MEXT) [25106003, 26630302, 26249092]; LiLi-NFM; Swedish Research Council (VR) [621-2011-4426]2016-06-092016-06-072016-06-27