FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2912212941> ?p ?o ?g. }

• W2912212941 endingPage "1388" @default.
• W2912212941 startingPage "1385" @default.
• W2912212941 abstract "BN-AlN alloys are potential candidates to achieve wide band gap material for ultraviolet device applications. By combing density functional theory and evolutionary structure predictions, we systematically explore the thermodynamic, mechanical, dynamical and optical properties of BxAl1−xN alloys. Through structure search, three compounds (cubic (BAl3N4, and B3AlN4, space group P-43m), and tetragonal (BAlN2, space group P-42m)) have been predicted. The calculated relative large formation enthalpies suggest that large miscibility gap exists in BAlN alloys. In addition, computed elastic constants and phonon show that these structures are mechanically and dynamically stable. From the state of the art LDA-1/2 we show that the direct band gap of BN-AlN evinces strong deviation from a linear dependence on B composition. We found -in particular- giant direct band gap bowing parameter of b∼11.6 eV for the entire range of composition, where b parameter is found to be sensitive to composition x. From a detailed analysis of the physical origin of the optical gap bowing b, we found that structural and chemical contributions play the most significant effects behind the huge optical band gap bowing parameter of BAlN alloys." @default.
• W2912212941 created "2019-02-21" @default.
• W2912212941 creator A5020369994 @default.
• W2912212941 creator A5020734269 @default.
• W2912212941 creator A5057846469 @default.
• W2912212941 creator A5088682990 @default.
• W2912212941 date "2019-04-01" @default.
• W2912212941 modified "2023-10-10" @default.
• W2912212941 title "Exploring new insights in BAlN from evolutionary algorithms ab initio computations" @default.
• W2912212941 cites W1550186202 @default.
• W2912212941 cites W1635935500 @default.
• W2912212941 cites W1654446137 @default.
• W2912212941 cites W1895258380 @default.
• W2912212941 cites W1967565394 @default.
• W2912212941 cites W1992985800 @default.
• W2912212941 cites W1996002160 @default.
• W2912212941 cites W2004115981 @default.
• W2912212941 cites W2006271366 @default.
• W2912212941 cites W2028638305 @default.
• W2912212941 cites W2036113194 @default.
• W2912212941 cites W2044012801 @default.
• W2912212941 cites W2052038418 @default.
• W2912212941 cites W2052637367 @default.
• W2912212941 cites W2058843908 @default.
• W2912212941 cites W2063354978 @default.
• W2912212941 cites W2065400377 @default.
• W2912212941 cites W2066218785 @default.
• W2912212941 cites W2083293608 @default.
• W2912212941 cites W2084519294 @default.
• W2912212941 cites W2089344674 @default.
• W2912212941 cites W2095021394 @default.
• W2912212941 cites W2100084115 @default.
• W2912212941 cites W2120145199 @default.
• W2912212941 cites W2230728100 @default.
• W2912212941 doi "https://doi.org/10.1016/j.physleta.2019.02.010" @default.
• W2912212941 hasPublicationYear "2019" @default.
• W2912212941 type Work @default.
• W2912212941 sameAs 2912212941 @default.
• W2912212941 citedByCount "8" @default.
• W2912212941 countsByYear W29122129412020 @default.
• W2912212941 countsByYear W29122129412021 @default.
• W2912212941 countsByYear W29122129412022 @default.
• W2912212941 countsByYear W29122129412023 @default.
• W2912212941 crossrefType "journal-article" @default.
• W2912212941 hasAuthorship W2912212941A5020369994 @default.
• W2912212941 hasAuthorship W2912212941A5020734269 @default.
• W2912212941 hasAuthorship W2912212941A5057846469 @default.
• W2912212941 hasAuthorship W2912212941A5088682990 @default.
• W2912212941 hasBestOaLocation W29122129411 @default.
• W2912212941 hasConcept C105795698 @default.
• W2912212941 hasConcept C121332964 @default.
• W2912212941 hasConcept C125469278 @default.
• W2912212941 hasConcept C138885662 @default.
• W2912212941 hasConcept C152365726 @default.
• W2912212941 hasConcept C170751736 @default.
• W2912212941 hasConcept C181966813 @default.
• W2912212941 hasConcept C193154288 @default.
• W2912212941 hasConcept C26873012 @default.
• W2912212941 hasConcept C27206212 @default.
• W2912212941 hasConcept C2780787355 @default.
• W2912212941 hasConcept C2781442258 @default.
• W2912212941 hasConcept C33923547 @default.
• W2912212941 hasConcept C41999313 @default.
• W2912212941 hasConcept C44280652 @default.
• W2912212941 hasConcept C62520636 @default.
• W2912212941 hasConcept C73586568 @default.
• W2912212941 hasConcept C86025842 @default.
• W2912212941 hasConcept C9249130 @default.
• W2912212941 hasConceptScore W2912212941C105795698 @default.
• W2912212941 hasConceptScore W2912212941C121332964 @default.
• W2912212941 hasConceptScore W2912212941C125469278 @default.
• W2912212941 hasConceptScore W2912212941C138885662 @default.
• W2912212941 hasConceptScore W2912212941C152365726 @default.
• W2912212941 hasConceptScore W2912212941C170751736 @default.
• W2912212941 hasConceptScore W2912212941C181966813 @default.
• W2912212941 hasConceptScore W2912212941C193154288 @default.
• W2912212941 hasConceptScore W2912212941C26873012 @default.
• W2912212941 hasConceptScore W2912212941C27206212 @default.
• W2912212941 hasConceptScore W2912212941C2780787355 @default.
• W2912212941 hasConceptScore W2912212941C2781442258 @default.
• W2912212941 hasConceptScore W2912212941C33923547 @default.
• W2912212941 hasConceptScore W2912212941C41999313 @default.
• W2912212941 hasConceptScore W2912212941C44280652 @default.
• W2912212941 hasConceptScore W2912212941C62520636 @default.
• W2912212941 hasConceptScore W2912212941C73586568 @default.
• W2912212941 hasConceptScore W2912212941C86025842 @default.
• W2912212941 hasConceptScore W2912212941C9249130 @default.
• W2912212941 hasIssue "13" @default.
• W2912212941 hasLocation W29122129411 @default.
• W2912212941 hasLocation W29122129412 @default.
• W2912212941 hasLocation W29122129413 @default.
• W2912212941 hasLocation W29122129414 @default.
• W2912212941 hasLocation W29122129415 @default.
• W2912212941 hasOpenAccess W2912212941 @default.
• W2912212941 hasPrimaryLocation W29122129411 @default.
• W2912212941 hasRelatedWork W1650629744 @default.
• W2912212941 hasRelatedWork W1987170280 @default.
• W2912212941 hasRelatedWork W2006141757 @default.

• next