Matches in SemOpenAlex for { <https://semopenalex.org/work/W2955931469> ?p ?o ?g. }
- W2955931469 endingPage "102453" @default.
- W2955931469 startingPage "102453" @default.
- W2955931469 abstract "The pressure-induced structural, elastic, vibrational, thermodynamic properties and the hardness of C11N4 polymorphs were investigated by first-principles calculations based on the density functional theory. Our calculations reveal that the g-C11N4 is the most stable structure at ambient pressure among the four C11N4 polymorphs and that α-C11N4 and d-C11N4 are the most energetically preferred structures. The transition from g-C11N4 to α-C11N4 and d-C11N4 with low pressure phases occurs around 3.557 and 9.468 GPa, respectively, and the transition from g-C11N4 to β-C11N4 with high pressure phase occurs around 46.032 GPa. The elastic properties and anisotropic mechanical properties of C11N4 polymorphs are then discussed in detail. Importantly, the hardnesses of C11N4 polymorphs are estimated using a semi-empirical model for the hardness, and the results indicate that α-C11N4, β-C11N4, and d-C11N4 are superhard materials. Finally, the mechanical and thermodynamic properties, including the bulk moduli, heat capacity and the thermal expansion coefficient, of C11N4 polymorphs depending on pressure are predicted." @default.
- W2955931469 created "2019-07-12" @default.
- W2955931469 creator A5016268552 @default.
- W2955931469 creator A5057070150 @default.
- W2955931469 creator A5066982848 @default.
- W2955931469 creator A5070334439 @default.
- W2955931469 creator A5074906220 @default.
- W2955931469 date "2019-09-01" @default.
- W2955931469 modified "2023-10-15" @default.
- W2955931469 title "Pressure-induced variation of structural, elastic, vibrational, thermodynamic properties and hardness of C11N4 polymorphs" @default.
- W2955931469 cites W1541607574 @default.
- W2955931469 cites W1606842125 @default.
- W2955931469 cites W1968872417 @default.
- W2955931469 cites W1970824881 @default.
- W2955931469 cites W1971109911 @default.
- W2955931469 cites W1975725806 @default.
- W2955931469 cites W1984003326 @default.
- W2955931469 cites W1998290403 @default.
- W2955931469 cites W2000294598 @default.
- W2955931469 cites W2001677325 @default.
- W2955931469 cites W2002980344 @default.
- W2955931469 cites W2004318959 @default.
- W2955931469 cites W2004768436 @default.
- W2955931469 cites W2008080036 @default.
- W2955931469 cites W2016168218 @default.
- W2955931469 cites W2016530298 @default.
- W2955931469 cites W2025838043 @default.
- W2955931469 cites W2039613245 @default.
- W2955931469 cites W2045349099 @default.
- W2955931469 cites W2063701482 @default.
- W2955931469 cites W2065714680 @default.
- W2955931469 cites W2068972463 @default.
- W2955931469 cites W2073531811 @default.
- W2955931469 cites W2083467947 @default.
- W2955931469 cites W2085068298 @default.
- W2955931469 cites W2091982040 @default.
- W2955931469 cites W2092332261 @default.
- W2955931469 cites W2148816660 @default.
- W2955931469 cites W2152582037 @default.
- W2955931469 cites W2153703866 @default.
- W2955931469 cites W2160114563 @default.
- W2955931469 cites W2770070581 @default.
- W2955931469 cites W2831657405 @default.
- W2955931469 cites W2911733020 @default.
- W2955931469 cites W3021774863 @default.
- W2955931469 doi "https://doi.org/10.1016/j.rinp.2019.102453" @default.
- W2955931469 hasPublicationYear "2019" @default.
- W2955931469 type Work @default.
- W2955931469 sameAs 2955931469 @default.
- W2955931469 citedByCount "3" @default.
- W2955931469 countsByYear W29559314692020 @default.
- W2955931469 countsByYear W29559314692023 @default.
- W2955931469 crossrefType "journal-article" @default.
- W2955931469 hasAuthorship W2955931469A5016268552 @default.
- W2955931469 hasAuthorship W2955931469A5057070150 @default.
- W2955931469 hasAuthorship W2955931469A5066982848 @default.
- W2955931469 hasAuthorship W2955931469A5070334439 @default.
- W2955931469 hasAuthorship W2955931469A5074906220 @default.
- W2955931469 hasBestOaLocation W29559314691 @default.
- W2955931469 hasConcept C104317684 @default.
- W2955931469 hasConcept C121332964 @default.
- W2955931469 hasConcept C135763542 @default.
- W2955931469 hasConcept C147597530 @default.
- W2955931469 hasConcept C149288129 @default.
- W2955931469 hasConcept C149737253 @default.
- W2955931469 hasConcept C152365726 @default.
- W2955931469 hasConcept C185592680 @default.
- W2955931469 hasConcept C191897082 @default.
- W2955931469 hasConcept C192562407 @default.
- W2955931469 hasConcept C43486711 @default.
- W2955931469 hasConcept C47463417 @default.
- W2955931469 hasConcept C55493867 @default.
- W2955931469 hasConcept C60205243 @default.
- W2955931469 hasConcept C62520636 @default.
- W2955931469 hasConcept C8010536 @default.
- W2955931469 hasConcept C85725439 @default.
- W2955931469 hasConcept C94406020 @default.
- W2955931469 hasConcept C97355855 @default.
- W2955931469 hasConceptScore W2955931469C104317684 @default.
- W2955931469 hasConceptScore W2955931469C121332964 @default.
- W2955931469 hasConceptScore W2955931469C135763542 @default.
- W2955931469 hasConceptScore W2955931469C147597530 @default.
- W2955931469 hasConceptScore W2955931469C149288129 @default.
- W2955931469 hasConceptScore W2955931469C149737253 @default.
- W2955931469 hasConceptScore W2955931469C152365726 @default.
- W2955931469 hasConceptScore W2955931469C185592680 @default.
- W2955931469 hasConceptScore W2955931469C191897082 @default.
- W2955931469 hasConceptScore W2955931469C192562407 @default.
- W2955931469 hasConceptScore W2955931469C43486711 @default.
- W2955931469 hasConceptScore W2955931469C47463417 @default.
- W2955931469 hasConceptScore W2955931469C55493867 @default.
- W2955931469 hasConceptScore W2955931469C60205243 @default.
- W2955931469 hasConceptScore W2955931469C62520636 @default.
- W2955931469 hasConceptScore W2955931469C8010536 @default.
- W2955931469 hasConceptScore W2955931469C85725439 @default.
- W2955931469 hasConceptScore W2955931469C94406020 @default.
- W2955931469 hasConceptScore W2955931469C97355855 @default.
- W2955931469 hasFunder F4320321001 @default.