FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4226303174> ?p ?o ?g. }

• W4226303174 endingPage "095901" @default.
• W4226303174 startingPage "095901" @default.
• W4226303174 abstract "We study the hard and electrically conductive multicomponent diboride Ti0.25Zr0.25Hf0.25Ta0.25B2with high thermal stability byab-initiocalculations. We focus on the effect of defects (either vacancies or C atoms, both relevant for numerous experiments including our own) on material characteristics. Different types, concentrations and distributions of defects were investigated, and the configurations leading to the lowest formation energies were identified. We show that the replacement of B by C is more unfavorable than the formation of B vacancies. We show that vacancies prefer to coalesce into a larger planar void, minimizing the number of broken B-B bonds and the volume per atom, while carbon substitutions at boron sites do not prefer coalescence and tend to minimize the number of C-C bonds. We show the effect of vacancies on mechanical and electronic properties, and use the results to explain experimental data." @default.
• W4226303174 created "2022-05-05" @default.
• W4226303174 creator A5006949461 @default.
• W4226303174 creator A5028645287 @default.
• W4226303174 creator A5062081478 @default.
• W4226303174 date "2021-12-13" @default.
• W4226303174 modified "2023-10-16" @default.
• W4226303174 title "Vacancies and substitutional defects in multicomponent diboride Ti_0.25Zr_0.25Hf_0.25Ta_0.25B₂: first-principle study" @default.
• W4226303174 cites W1965602990 @default.
• W4226303174 cites W1970127494 @default.
• W4226303174 cites W1974443355 @default.
• W4226303174 cites W1979963773 @default.
• W4226303174 cites W1981368803 @default.
• W4226303174 cites W1984003326 @default.
• W4226303174 cites W1997440426 @default.
• W4226303174 cites W2004579861 @default.
• W4226303174 cites W2006751105 @default.
• W4226303174 cites W2010123387 @default.
• W4226303174 cites W2030976617 @default.
• W4226303174 cites W2040315011 @default.
• W4226303174 cites W2046423430 @default.
• W4226303174 cites W2052454532 @default.
• W4226303174 cites W2054812570 @default.
• W4226303174 cites W2068470554 @default.
• W4226303174 cites W2082714122 @default.
• W4226303174 cites W2093439192 @default.
• W4226303174 cites W2120145199 @default.
• W4226303174 cites W2156225033 @default.
• W4226303174 cites W2163704778 @default.
• W4226303174 cites W2230728100 @default.
• W4226303174 cites W2479867517 @default.
• W4226303174 cites W2511188179 @default.
• W4226303174 cites W2557627013 @default.
• W4226303174 cites W2787946967 @default.
• W4226303174 cites W2933449888 @default.
• W4226303174 cites W2936736651 @default.
• W4226303174 cites W2938197522 @default.
• W4226303174 cites W2939846616 @default.
• W4226303174 cites W2945903377 @default.
• W4226303174 cites W2947350236 @default.
• W4226303174 cites W2962982773 @default.
• W4226303174 cites W2980833768 @default.
• W4226303174 cites W2984323624 @default.
• W4226303174 cites W2986216803 @default.
• W4226303174 cites W2990395230 @default.
• W4226303174 cites W2990425134 @default.
• W4226303174 cites W2999313547 @default.
• W4226303174 cites W3081618166 @default.
• W4226303174 cites W3081694934 @default.
• W4226303174 cites W3085681484 @default.
• W4226303174 cites W3090951328 @default.
• W4226303174 cites W3093644412 @default.
• W4226303174 cites W3109077208 @default.
• W4226303174 cites W3109266328 @default.
• W4226303174 cites W3111218350 @default.
• W4226303174 cites W3138968472 @default.
• W4226303174 cites W3152676056 @default.
• W4226303174 cites W3168561780 @default.
• W4226303174 cites W3171564716 @default.
• W4226303174 cites W3200852922 @default.
• W4226303174 cites W4247959293 @default.
• W4226303174 doi "https://doi.org/10.1088/1361-648x/ac3db4" @default.
• W4226303174 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34826823" @default.
• W4226303174 hasPublicationYear "2021" @default.
• W4226303174 type Work @default.
• W4226303174 citedByCount "2" @default.
• W4226303174 countsByYear W42263031742022 @default.
• W4226303174 crossrefType "journal-article" @default.
• W4226303174 hasAuthorship W4226303174A5006949461 @default.
• W4226303174 hasAuthorship W4226303174A5028645287 @default.
• W4226303174 hasAuthorship W4226303174A5062081478 @default.
• W4226303174 hasConcept C121332964 @default.
• W4226303174 hasConcept C134132462 @default.
• W4226303174 hasConcept C149635348 @default.
• W4226303174 hasConcept C149792144 @default.
• W4226303174 hasConcept C159985019 @default.
• W4226303174 hasConcept C164675345 @default.
• W4226303174 hasConcept C185544564 @default.
• W4226303174 hasConcept C185592680 @default.
• W4226303174 hasConcept C191897082 @default.
• W4226303174 hasConcept C192562407 @default.
• W4226303174 hasConcept C2778608814 @default.
• W4226303174 hasConcept C2779772531 @default.
• W4226303174 hasConcept C41008148 @default.
• W4226303174 hasConcept C501308230 @default.
• W4226303174 hasConcept C58312451 @default.
• W4226303174 hasConcept C8010536 @default.
• W4226303174 hasConcept C87355193 @default.
• W4226303174 hasConceptScore W4226303174C121332964 @default.
• W4226303174 hasConceptScore W4226303174C134132462 @default.
• W4226303174 hasConceptScore W4226303174C149635348 @default.
• W4226303174 hasConceptScore W4226303174C149792144 @default.
• W4226303174 hasConceptScore W4226303174C159985019 @default.
• W4226303174 hasConceptScore W4226303174C164675345 @default.
• W4226303174 hasConceptScore W4226303174C185544564 @default.
• W4226303174 hasConceptScore W4226303174C185592680 @default.
• W4226303174 hasConceptScore W4226303174C191897082 @default.
• W4226303174 hasConceptScore W4226303174C192562407 @default.

• next