FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3033847830> ?p ?o ?g. }

• W3033847830 endingPage "121651" @default.
• W3033847830 startingPage "121651" @default.
• W3033847830 abstract "Abstract Band gap opening in graphene (Gr) on metals has been ascribed to hybridization, sublattice symmetry breaking (SSB), or conbinations of both. However, how and to what extent band gap opens under the influence of these effects is not well understood and is still a question in controversy. In this paper, we use first-principle calculations to elucidate this controversy by focusing on Gr/Ni(111), which provides an ideal platform for the present study owing to a (1 × 1)-commensurate structure resulting from negligible lattice mismatch. Electronic structures of artificially expanded or compressed systems with larger and smaller Gr-Ni(111) separations (d) than the equilibrium one (deq) are interpolated to find characteristics of band gap opening in Gr/Ni(111) with d ≈ deq. Similarities and differences among the top-hcp, top-fcc and bridge-top structures are also fully utilized in the analyses based on an additive model. We find that the band gap in Gr in the brigde-top structure is rather small, which can be explained by the absence of SSB in this structure. On the other hand, band gaps in Gr are much larger in the top-hcp and top-fcc structures, in which SSB is the strongest among possible structures. We have successfully discriminated, for the first time, the effects of hybridization and SSB on the band gap opening in these structures from each other and found that both effects are comparable for d ≈ deq and together induce band gaps of ~ 400meV, which are about four times as large as that in the bridge-top structure. These results provide a clear understanding of the band gap opening in Gr/Ni(111) and, though not directly applicable, would provide a useful insight into the band gap opening in other Gr/metal superstructures resulting from lattice mismatch, intercalation, or other modifications." @default.
• W3033847830 created "2020-06-12" @default.
• W3033847830 creator A5002181512 @default.
• W3033847830 creator A5008704776 @default.
• W3033847830 creator A5052577036 @default.
• W3033847830 creator A5078767982 @default.
• W3033847830 date "2020-10-01" @default.
• W3033847830 modified "2023-09-24" @default.
• W3033847830 title "Hybridization versus sublattice symmetry breaking in the band gap opening in graphene on Ni(111): A first-principles study" @default.
• W3033847830 cites W1862221011 @default.
• W3033847830 cites W1970127494 @default.
• W3033847830 cites W1978486867 @default.
• W3033847830 cites W1979544533 @default.
• W3033847830 cites W1979890851 @default.
• W3033847830 cites W1981368803 @default.
• W3033847830 cites W1983208835 @default.
• W3033847830 cites W1987403044 @default.
• W3033847830 cites W1990081464 @default.
• W3033847830 cites W2000536749 @default.
• W3033847830 cites W2007262819 @default.
• W3033847830 cites W2007395042 @default.
• W3033847830 cites W2007806333 @default.
• W3033847830 cites W2010196525 @default.
• W3033847830 cites W2012533737 @default.
• W3033847830 cites W2015111598 @default.
• W3033847830 cites W2017084890 @default.
• W3033847830 cites W2017186033 @default.
• W3033847830 cites W2021694192 @default.
• W3033847830 cites W2026237155 @default.
• W3033847830 cites W2029609558 @default.
• W3033847830 cites W2035497613 @default.
• W3033847830 cites W2035825256 @default.
• W3033847830 cites W2035930650 @default.
• W3033847830 cites W2036113194 @default.
• W3033847830 cites W2040419312 @default.
• W3033847830 cites W2044288179 @default.
• W3033847830 cites W2052867835 @default.
• W3033847830 cites W2054544666 @default.
• W3033847830 cites W2058122340 @default.
• W3033847830 cites W2064429046 @default.
• W3033847830 cites W2065128298 @default.
• W3033847830 cites W2065308677 @default.
• W3033847830 cites W2068784905 @default.
• W3033847830 cites W2069480253 @default.
• W3033847830 cites W2083222334 @default.
• W3033847830 cites W2105685140 @default.
• W3033847830 cites W2106298613 @default.
• W3033847830 cites W2113674800 @default.
• W3033847830 cites W2121500372 @default.
• W3033847830 cites W2124209259 @default.
• W3033847830 cites W2143729162 @default.
• W3033847830 cites W2161361454 @default.
• W3033847830 cites W2163980958 @default.
• W3033847830 cites W2169024599 @default.
• W3033847830 cites W2291570569 @default.
• W3033847830 cites W2320287746 @default.
• W3033847830 cites W2320299839 @default.
• W3033847830 cites W2320442382 @default.
• W3033847830 cites W2325628657 @default.
• W3033847830 cites W2329056260 @default.
• W3033847830 cites W2330384106 @default.
• W3033847830 cites W2792376995 @default.
• W3033847830 cites W2795743180 @default.
• W3033847830 cites W2943837443 @default.
• W3033847830 cites W2963811352 @default.
• W3033847830 cites W3099382759 @default.
• W3033847830 cites W3100861255 @default.
• W3033847830 cites W3124695385 @default.
• W3033847830 cites W4205729635 @default.
• W3033847830 cites W4252188251 @default.
• W3033847830 doi "https://doi.org/10.1016/j.susc.2020.121651" @default.
• W3033847830 hasPublicationYear "2020" @default.
• W3033847830 type Work @default.
• W3033847830 sameAs 3033847830 @default.
• W3033847830 citedByCount "3" @default.
• W3033847830 countsByYear W30338478302021 @default.
• W3033847830 countsByYear W30338478302022 @default.
• W3033847830 countsByYear W30338478302023 @default.
• W3033847830 crossrefType "journal-article" @default.
• W3033847830 hasAuthorship W3033847830A5002181512 @default.
• W3033847830 hasAuthorship W3033847830A5008704776 @default.
• W3033847830 hasAuthorship W3033847830A5052577036 @default.
• W3033847830 hasAuthorship W3033847830A5078767982 @default.
• W3033847830 hasConcept C121332964 @default.
• W3033847830 hasConcept C171250308 @default.
• W3033847830 hasConcept C181966813 @default.
• W3033847830 hasConcept C192562407 @default.
• W3033847830 hasConcept C204795200 @default.
• W3033847830 hasConcept C2524010 @default.
• W3033847830 hasConcept C26873012 @default.
• W3033847830 hasConcept C2779886137 @default.
• W3033847830 hasConcept C30080830 @default.
• W3033847830 hasConcept C33923547 @default.
• W3033847830 hasConcept C62520636 @default.
• W3033847830 hasConceptScore W3033847830C121332964 @default.
• W3033847830 hasConceptScore W3033847830C171250308 @default.
• W3033847830 hasConceptScore W3033847830C181966813 @default.
• W3033847830 hasConceptScore W3033847830C192562407 @default.

• next