Matches in SemOpenAlex for { <https://semopenalex.org/work/W2060147499> ?p ?o ?g. }
Showing items 1 to 97 of
97
with 100 items per page.
- W2060147499 endingPage "18" @default.
- W2060147499 startingPage "10" @default.
- W2060147499 abstract "We have performed FP-LAPW calculations in the framework of density functional theory (DFT) to compute ground-state electronic and optical properties of alkali metal selenides M2Se [M: Li, Na, K, Rb] in anti-CaF2 crystal structure. The generalized gradient approximation (GGA) parameterization schemes proposed by Wu and Cohen (WC) and Engel and Vosko (EV) have been utilized for these calculations and some trends in the electronic properties of alkali metal selenides have been analyzed in the light of available theoretical and experimental data of other group IA–VI crystals. Electronic density of states for these compounds has been obtained to elucidate contribution from different anion and cation states to the electronic structure. Optical properties such as complex dielectric function e(ω), absorption coefficient I(ω), refractive index n(ω), extinction coefficient k(ω) and reflectivity R(ω) for incident photon energy up to 35 eV and energyloss functions have been predicted for M2Se compounds. Various interband transitions and the possible contributions of the cation and anion states to these transitions have been presented. © 2010 Elsevier B.V. All rights reserved." @default.
- W2060147499 created "2016-06-24" @default.
- W2060147499 creator A5055153226 @default.
- W2060147499 creator A5060552954 @default.
- W2060147499 creator A5078503191 @default.
- W2060147499 creator A5088488033 @default.
- W2060147499 date "2010-07-01" @default.
- W2060147499 modified "2023-09-26" @default.
- W2060147499 title "Electronic and optical properties of alkali metal selenides in anti-CaF2 crystal structure from first-principles" @default.
- W2060147499 cites W1580618325 @default.
- W2060147499 cites W1622909354 @default.
- W2060147499 cites W1970512205 @default.
- W2060147499 cites W1971681863 @default.
- W2060147499 cites W1973456200 @default.
- W2060147499 cites W1981368803 @default.
- W2060147499 cites W1986803760 @default.
- W2060147499 cites W2019244890 @default.
- W2060147499 cites W2046951053 @default.
- W2060147499 cites W2048835561 @default.
- W2060147499 cites W2057013856 @default.
- W2060147499 cites W2058628643 @default.
- W2060147499 cites W2061469359 @default.
- W2060147499 cites W2066561922 @default.
- W2060147499 cites W2066821459 @default.
- W2060147499 cites W2076332214 @default.
- W2060147499 cites W2079582280 @default.
- W2060147499 cites W2084758343 @default.
- W2060147499 cites W2088925839 @default.
- W2060147499 cites W2134344701 @default.
- W2060147499 cites W2156533788 @default.
- W2060147499 cites W2950681788 @default.
- W2060147499 doi "https://doi.org/10.1016/j.jallcom.2010.05.014" @default.
- W2060147499 hasPublicationYear "2010" @default.
- W2060147499 type Work @default.
- W2060147499 sameAs 2060147499 @default.
- W2060147499 citedByCount "23" @default.
- W2060147499 countsByYear W20601474992012 @default.
- W2060147499 countsByYear W20601474992013 @default.
- W2060147499 countsByYear W20601474992014 @default.
- W2060147499 countsByYear W20601474992015 @default.
- W2060147499 countsByYear W20601474992016 @default.
- W2060147499 countsByYear W20601474992017 @default.
- W2060147499 countsByYear W20601474992018 @default.
- W2060147499 countsByYear W20601474992019 @default.
- W2060147499 countsByYear W20601474992020 @default.
- W2060147499 countsByYear W20601474992021 @default.
- W2060147499 countsByYear W20601474992022 @default.
- W2060147499 crossrefType "journal-article" @default.
- W2060147499 hasAuthorship W2060147499A5055153226 @default.
- W2060147499 hasAuthorship W2060147499A5060552954 @default.
- W2060147499 hasAuthorship W2060147499A5078503191 @default.
- W2060147499 hasAuthorship W2060147499A5088488033 @default.
- W2060147499 hasConcept C115624301 @default.
- W2060147499 hasConcept C147597530 @default.
- W2060147499 hasConcept C171250308 @default.
- W2060147499 hasConcept C178790620 @default.
- W2060147499 hasConcept C179104552 @default.
- W2060147499 hasConcept C185592680 @default.
- W2060147499 hasConcept C191897082 @default.
- W2060147499 hasConcept C192562407 @default.
- W2060147499 hasConcept C198091228 @default.
- W2060147499 hasConcept C544153396 @default.
- W2060147499 hasConcept C8010536 @default.
- W2060147499 hasConcept C86025842 @default.
- W2060147499 hasConceptScore W2060147499C115624301 @default.
- W2060147499 hasConceptScore W2060147499C147597530 @default.
- W2060147499 hasConceptScore W2060147499C171250308 @default.
- W2060147499 hasConceptScore W2060147499C178790620 @default.
- W2060147499 hasConceptScore W2060147499C179104552 @default.
- W2060147499 hasConceptScore W2060147499C185592680 @default.
- W2060147499 hasConceptScore W2060147499C191897082 @default.
- W2060147499 hasConceptScore W2060147499C192562407 @default.
- W2060147499 hasConceptScore W2060147499C198091228 @default.
- W2060147499 hasConceptScore W2060147499C544153396 @default.
- W2060147499 hasConceptScore W2060147499C8010536 @default.
- W2060147499 hasConceptScore W2060147499C86025842 @default.
- W2060147499 hasIssue "1" @default.
- W2060147499 hasLocation W20601474991 @default.
- W2060147499 hasOpenAccess W2060147499 @default.
- W2060147499 hasPrimaryLocation W20601474991 @default.
- W2060147499 hasRelatedWork W1991885246 @default.
- W2060147499 hasRelatedWork W1996429365 @default.
- W2060147499 hasRelatedWork W2042069923 @default.
- W2060147499 hasRelatedWork W2046931646 @default.
- W2060147499 hasRelatedWork W2063124325 @default.
- W2060147499 hasRelatedWork W2087193027 @default.
- W2060147499 hasRelatedWork W2155653991 @default.
- W2060147499 hasRelatedWork W2951989447 @default.
- W2060147499 hasRelatedWork W4308363008 @default.
- W2060147499 hasRelatedWork W44069073 @default.
- W2060147499 hasVolume "503" @default.
- W2060147499 isParatext "false" @default.
- W2060147499 isRetracted "false" @default.
- W2060147499 magId "2060147499" @default.
- W2060147499 workType "article" @default.