Matches in SemOpenAlex for { <https://semopenalex.org/work/W2019175596> ?p ?o ?g. }
Showing items 1 to 88 of
88
with 100 items per page.
- W2019175596 endingPage "114707" @default.
- W2019175596 startingPage "114707" @default.
- W2019175596 abstract "The atomic structures and electronic properties of different ZrN allotropes, including face-centered cubic ZrN (B1 ZrN), hypothetic wurtzite (w) ZrN, and hypothetic two-dimensional (2D) and three-dimensional (3D) layered hexagonal (h) ZrN, are investigated by systematic first-principles calculations. Although the cohesive energy calculation indicates that the B1 ZrN is more stable than the hypothetic w-ZrN and h-ZrN, we suggest that the monolayer h-ZrN may be stable on some substrates. Charge population analysis shows that the polar, covalent bonding character appears between N atoms and Zr atoms for all ZrN allotropes involved in this paper. A Van Hove singularity (VHS) with a high density of states (DOS) locating at 0.2 eV above the Fermi level appears for monolayer h-ZrN, which results from a saddle point of the partially occupied Zr-d(z2) energy bands due to lack of interlayer interaction. Such a VHS observed in the monolayer h-ZrN indicates that this hypothetic monolayer material might be a potential candidate for new superconducting material by electron doping." @default.
- W2019175596 created "2016-06-24" @default.
- W2019175596 creator A5038525118 @default.
- W2019175596 creator A5085267258 @default.
- W2019175596 date "2011-11-15" @default.
- W2019175596 modified "2023-09-25" @default.
- W2019175596 title "First Principles Calculations of the Electronic Structure of ZrN Allotropes" @default.
- W2019175596 cites W1499192185 @default.
- W2019175596 cites W1502327459 @default.
- W2019175596 cites W152297583 @default.
- W2019175596 cites W1965336821 @default.
- W2019175596 cites W1970127494 @default.
- W2019175596 cites W1979544533 @default.
- W2019175596 cites W1979705494 @default.
- W2019175596 cites W1980395111 @default.
- W2019175596 cites W1981368803 @default.
- W2019175596 cites W1987587376 @default.
- W2019175596 cites W1988762313 @default.
- W2019175596 cites W1993119139 @default.
- W2019175596 cites W1994752816 @default.
- W2019175596 cites W1996257516 @default.
- W2019175596 cites W2003950316 @default.
- W2019175596 cites W2008628108 @default.
- W2019175596 cites W2013183053 @default.
- W2019175596 cites W2016827051 @default.
- W2019175596 cites W2022085321 @default.
- W2019175596 cites W2022296374 @default.
- W2019175596 cites W2022997568 @default.
- W2019175596 cites W2029278034 @default.
- W2019175596 cites W2032266604 @default.
- W2019175596 cites W2036113194 @default.
- W2019175596 cites W2043854139 @default.
- W2019175596 cites W2051546553 @default.
- W2019175596 cites W2058503711 @default.
- W2019175596 cites W2058946317 @default.
- W2019175596 cites W2071033262 @default.
- W2019175596 cites W2073490186 @default.
- W2019175596 cites W2078710135 @default.
- W2019175596 cites W2082389183 @default.
- W2019175596 cites W2083222334 @default.
- W2019175596 cites W2089220528 @default.
- W2019175596 cites W2091690067 @default.
- W2019175596 cites W2094113902 @default.
- W2019175596 cites W2116941744 @default.
- W2019175596 cites W2170078525 @default.
- W2019175596 cites W2963471250 @default.
- W2019175596 cites W3100204551 @default.
- W2019175596 cites W3101631291 @default.
- W2019175596 cites W3122415659 @default.
- W2019175596 doi "https://doi.org/10.1143/jpsj.80.114707" @default.
- W2019175596 hasPublicationYear "2011" @default.
- W2019175596 type Work @default.
- W2019175596 sameAs 2019175596 @default.
- W2019175596 citedByCount "2" @default.
- W2019175596 countsByYear W20191755962012 @default.
- W2019175596 countsByYear W20191755962023 @default.
- W2019175596 crossrefType "journal-article" @default.
- W2019175596 hasAuthorship W2019175596A5038525118 @default.
- W2019175596 hasAuthorship W2019175596A5085267258 @default.
- W2019175596 hasConcept C121332964 @default.
- W2019175596 hasConcept C192562407 @default.
- W2019175596 hasConcept C26873012 @default.
- W2019175596 hasConcept C86025842 @default.
- W2019175596 hasConceptScore W2019175596C121332964 @default.
- W2019175596 hasConceptScore W2019175596C192562407 @default.
- W2019175596 hasConceptScore W2019175596C26873012 @default.
- W2019175596 hasConceptScore W2019175596C86025842 @default.
- W2019175596 hasIssue "11" @default.
- W2019175596 hasLocation W20191755961 @default.
- W2019175596 hasOpenAccess W2019175596 @default.
- W2019175596 hasPrimaryLocation W20191755961 @default.
- W2019175596 hasRelatedWork W1597435068 @default.
- W2019175596 hasRelatedWork W1845140179 @default.
- W2019175596 hasRelatedWork W1993744072 @default.
- W2019175596 hasRelatedWork W2062145097 @default.
- W2019175596 hasRelatedWork W2512385491 @default.
- W2019175596 hasRelatedWork W2964100520 @default.
- W2019175596 hasRelatedWork W2984953784 @default.
- W2019175596 hasRelatedWork W3098700859 @default.
- W2019175596 hasRelatedWork W390875514 @default.
- W2019175596 hasRelatedWork W584062137 @default.
- W2019175596 hasVolume "80" @default.
- W2019175596 isParatext "false" @default.
- W2019175596 isRetracted "false" @default.
- W2019175596 magId "2019175596" @default.
- W2019175596 workType "article" @default.