Matches in SemOpenAlex for { <https://semopenalex.org/work/W2023786047> ?p ?o ?g. }
- W2023786047 abstract "High-pressure ground-state phases of crystalline diborane (B${}_{2}$H${}_{6}$) and their stability against decomposition into B and H are investigated by calculations within density-functional theory. Although B${}_{2}$H${}_{6}$ is thermodynamically unstable to phase separation into B and H in the intermediate pressure range, it is restabilized beyond 350 GPa. The candidate structures are then $Pbcn$ and $Cmcm$, though at the level of the harmonic approximation the latter has some imaginary-frequency phonons. Both structures are metallic with quite high density of states at the Fermi energy. An estimate of superconducting transition temperature ${T}_{mathrm{c}}$ is carried out for the $Pbcn$ structure by using the extended McMillan formula, and the resulting ${T}_{mathrm{c}}$ reaches around 100 K." @default.
- W2023786047 created "2016-06-24" @default.
- W2023786047 creator A5029590176 @default.
- W2023786047 creator A5033738513 @default.
- W2023786047 date "2011-09-19" @default.
- W2023786047 modified "2023-10-17" @default.
- W2023786047 title "Crystalline diborane at high pressures" @default.
- W2023786047 cites W1550186202 @default.
- W2023786047 cites W1559069262 @default.
- W2023786047 cites W1585346581 @default.
- W2023786047 cites W1970127494 @default.
- W2023786047 cites W1973007454 @default.
- W2023786047 cites W1979544533 @default.
- W2023786047 cites W1981368803 @default.
- W2023786047 cites W1982133696 @default.
- W2023786047 cites W1982723995 @default.
- W2023786047 cites W1983077902 @default.
- W2023786047 cites W1985006958 @default.
- W2023786047 cites W1987449001 @default.
- W2023786047 cites W1990912576 @default.
- W2023786047 cites W1995476782 @default.
- W2023786047 cites W1996029583 @default.
- W2023786047 cites W1996765737 @default.
- W2023786047 cites W2001820915 @default.
- W2023786047 cites W2007395042 @default.
- W2023786047 cites W2014567599 @default.
- W2023786047 cites W2017320491 @default.
- W2023786047 cites W2028808912 @default.
- W2023786047 cites W2034896486 @default.
- W2023786047 cites W2035223648 @default.
- W2023786047 cites W2038131256 @default.
- W2023786047 cites W2038626415 @default.
- W2023786047 cites W2043400417 @default.
- W2023786047 cites W2054297923 @default.
- W2023786047 cites W2062163154 @default.
- W2023786047 cites W2070873799 @default.
- W2023786047 cites W2071732181 @default.
- W2023786047 cites W2071814198 @default.
- W2023786047 cites W2072522903 @default.
- W2023786047 cites W2073627681 @default.
- W2023786047 cites W2078746662 @default.
- W2023786047 cites W2079105963 @default.
- W2023786047 cites W2083222334 @default.
- W2023786047 cites W2087177018 @default.
- W2023786047 cites W2088610216 @default.
- W2023786047 cites W2115074785 @default.
- W2023786047 cites W2120173164 @default.
- W2023786047 cites W2133927870 @default.
- W2023786047 cites W2146037467 @default.
- W2023786047 doi "https://doi.org/10.1103/physrevb.84.104118" @default.
- W2023786047 hasPublicationYear "2011" @default.
- W2023786047 type Work @default.
- W2023786047 sameAs 2023786047 @default.
- W2023786047 citedByCount "38" @default.
- W2023786047 countsByYear W20237860472012 @default.
- W2023786047 countsByYear W20237860472013 @default.
- W2023786047 countsByYear W20237860472014 @default.
- W2023786047 countsByYear W20237860472015 @default.
- W2023786047 countsByYear W20237860472016 @default.
- W2023786047 countsByYear W20237860472017 @default.
- W2023786047 countsByYear W20237860472018 @default.
- W2023786047 countsByYear W20237860472019 @default.
- W2023786047 countsByYear W20237860472020 @default.
- W2023786047 countsByYear W20237860472021 @default.
- W2023786047 countsByYear W20237860472022 @default.
- W2023786047 countsByYear W20237860472023 @default.
- W2023786047 crossrefType "journal-article" @default.
- W2023786047 hasAuthorship W2023786047A5029590176 @default.
- W2023786047 hasAuthorship W2023786047A5033738513 @default.
- W2023786047 hasBestOaLocation W20237860471 @default.
- W2023786047 hasConcept C121332964 @default.
- W2023786047 hasConcept C147120987 @default.
- W2023786047 hasConcept C152365726 @default.
- W2023786047 hasConcept C159985019 @default.
- W2023786047 hasConcept C184779094 @default.
- W2023786047 hasConcept C185544564 @default.
- W2023786047 hasConcept C192562407 @default.
- W2023786047 hasConcept C204323151 @default.
- W2023786047 hasConcept C24169881 @default.
- W2023786047 hasConcept C26873012 @default.
- W2023786047 hasConcept C2778072282 @default.
- W2023786047 hasConcept C40636707 @default.
- W2023786047 hasConcept C44280652 @default.
- W2023786047 hasConcept C501308230 @default.
- W2023786047 hasConcept C53964469 @default.
- W2023786047 hasConcept C54101563 @default.
- W2023786047 hasConcept C62520636 @default.
- W2023786047 hasConcept C69523127 @default.
- W2023786047 hasConceptScore W2023786047C121332964 @default.
- W2023786047 hasConceptScore W2023786047C147120987 @default.
- W2023786047 hasConceptScore W2023786047C152365726 @default.
- W2023786047 hasConceptScore W2023786047C159985019 @default.
- W2023786047 hasConceptScore W2023786047C184779094 @default.
- W2023786047 hasConceptScore W2023786047C185544564 @default.
- W2023786047 hasConceptScore W2023786047C192562407 @default.
- W2023786047 hasConceptScore W2023786047C204323151 @default.
- W2023786047 hasConceptScore W2023786047C24169881 @default.
- W2023786047 hasConceptScore W2023786047C26873012 @default.
- W2023786047 hasConceptScore W2023786047C2778072282 @default.
- W2023786047 hasConceptScore W2023786047C40636707 @default.