FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1969132370> ?p ?o ?g. }

• W1969132370 endingPage "2541" @default.
• W1969132370 startingPage "2534" @default.
• W1969132370 abstract "In this study, we carried out large-scale electronic structure calculations on blue phosphor BaMgAl10O17:Eu2+ (BAM) using an self-consistent charge (SCC) tight-binding quantum chemistry method with an improved convergence for the 4 f orbitals of rare-earth elements. Calculation results obtained by the present method are in good agreement with first-principles and experimental results. We first compared the thermodynamic stability and the electronic structures for three different Eu sites. A first-principles calculation showed that the Beevers–Ross site was the most stable site for the Eu atom. Large-scale electronic structure calculations by the improved SCC tight-binding quantum chemistry method suggested that the electronic structures of Eu 5d orbitals are dependent on the shape of Eu 5d orbitals and the positions of oxygen atoms around the Eu atom. We also investigated the effects of an oxygen vacancy (VO) on the luminescence properties of BAM. We found that energy levels of molecular orbitals (MOs) with main contributions from Eu 5d orbitals were shifted lower by the VO near the Eu atom, and thus our results suggested that the formation of the VO near the Eu atom leads to the red shift of the luminescence color." @default.
• W1969132370 created "2016-06-24" @default.
• W1969132370 creator A5016334116 @default.
• W1969132370 creator A5024029851 @default.
• W1969132370 creator A5026195965 @default.
• W1969132370 creator A5032220521 @default.
• W1969132370 creator A5038260027 @default.
• W1969132370 creator A5041731411 @default.
• W1969132370 creator A5060491556 @default.
• W1969132370 creator A5077455509 @default.
• W1969132370 creator A5079425945 @default.
• W1969132370 date "2007-04-24" @default.
• W1969132370 modified "2023-10-16" @default.
• W1969132370 title "Large-Scale Electronic Structure Calculation on Blue Phosphor BaMgAl₁₀O₁₇:Eu²⁺Using Tight-Binding Quantum Chemistry Method Implemented for Rare-Earth Elements" @default.
• W1969132370 cites W1479848429 @default.
• W1969132370 cites W1612894395 @default.
• W1969132370 cites W1613144316 @default.
• W1969132370 cites W183095199 @default.
• W1969132370 cites W1902011620 @default.
• W1969132370 cites W1965566520 @default.
• W1969132370 cites W1974845094 @default.
• W1969132370 cites W1975950145 @default.
• W1969132370 cites W1976974676 @default.
• W1969132370 cites W1981368803 @default.
• W1969132370 cites W1993437918 @default.
• W1969132370 cites W2003226711 @default.
• W1969132370 cites W2012451717 @default.
• W1969132370 cites W2013338609 @default.
• W1969132370 cites W2013465150 @default.
• W1969132370 cites W2014094922 @default.
• W1969132370 cites W2037154122 @default.
• W1969132370 cites W2038104305 @default.
• W1969132370 cites W2038533471 @default.
• W1969132370 cites W2045844878 @default.
• W1969132370 cites W2047082712 @default.
• W1969132370 cites W2047733285 @default.
• W1969132370 cites W2054236945 @default.
• W1969132370 cites W2055230539 @default.
• W1969132370 cites W2055679673 @default.
• W1969132370 cites W2060284545 @default.
• W1969132370 cites W2065607057 @default.
• W1969132370 cites W2065630600 @default.
• W1969132370 cites W2076802126 @default.
• W1969132370 cites W2090634643 @default.
• W1969132370 cites W2094443836 @default.
• W1969132370 cites W2112387314 @default.
• W1969132370 cites W2166234139 @default.
• W1969132370 cites W2321906228 @default.
• W1969132370 cites W2326774675 @default.
• W1969132370 cites W289333666 @default.
• W1969132370 cites W2951312651 @default.
• W1969132370 cites W2998447378 @default.
• W1969132370 cites W3206606417 @default.
• W1969132370 doi "https://doi.org/10.1143/jjap.46.2534" @default.
• W1969132370 hasPublicationYear "2007" @default.
• W1969132370 type Work @default.
• W1969132370 sameAs 1969132370 @default.
• W1969132370 citedByCount "12" @default.
• W1969132370 countsByYear W19691323702014 @default.
• W1969132370 countsByYear W19691323702019 @default.
• W1969132370 crossrefType "journal-article" @default.
• W1969132370 hasAuthorship W1969132370A5016334116 @default.
• W1969132370 hasAuthorship W1969132370A5024029851 @default.
• W1969132370 hasAuthorship W1969132370A5026195965 @default.
• W1969132370 hasAuthorship W1969132370A5032220521 @default.
• W1969132370 hasAuthorship W1969132370A5038260027 @default.
• W1969132370 hasAuthorship W1969132370A5041731411 @default.
• W1969132370 hasAuthorship W1969132370A5060491556 @default.
• W1969132370 hasAuthorship W1969132370A5077455509 @default.
• W1969132370 hasAuthorship W1969132370A5079425945 @default.
• W1969132370 hasConcept C115624301 @default.
• W1969132370 hasConcept C121332964 @default.
• W1969132370 hasConcept C124385694 @default.
• W1969132370 hasConcept C139358910 @default.
• W1969132370 hasConcept C147120987 @default.
• W1969132370 hasConcept C147597530 @default.
• W1969132370 hasConcept C148869448 @default.
• W1969132370 hasConcept C149635348 @default.
• W1969132370 hasConcept C178790620 @default.
• W1969132370 hasConcept C182063899 @default.
• W1969132370 hasConcept C184779094 @default.
• W1969132370 hasConcept C185592680 @default.
• W1969132370 hasConcept C189394030 @default.
• W1969132370 hasConcept C192562407 @default.
• W1969132370 hasConcept C22994065 @default.
• W1969132370 hasConcept C32909587 @default.
• W1969132370 hasConcept C41008148 @default.
• W1969132370 hasConcept C49040817 @default.
• W1969132370 hasConcept C58312451 @default.
• W1969132370 hasConcept C62520636 @default.
• W1969132370 hasConcept C8010536 @default.
• W1969132370 hasConcept C86025842 @default.
• W1969132370 hasConcept C93275456 @default.
• W1969132370 hasConcept C93282013 @default.
• W1969132370 hasConceptScore W1969132370C115624301 @default.
• W1969132370 hasConceptScore W1969132370C121332964 @default.
• W1969132370 hasConceptScore W1969132370C124385694 @default.
• W1969132370 hasConceptScore W1969132370C139358910 @default.

• next