Matches in SemOpenAlex for { <https://semopenalex.org/work/W1659173623> ?p ?o ?g. }
Showing items 1 to 93 of
93
with 100 items per page.
- W1659173623 abstract "First-principles density functional calculations are employed to study the (001) surface of BaZrO3 with both BaO and ZrO2 termination. Surface structure and band structure have been obtained. For the ZrO2-terminated surface, the large displacement of the O atoms in the first layer results in the small surface rumpling. In addition, the largest relaxation appears on the second layer atoms but not on the very first layer ones. The analysis of the structure relaxation parameters reveals that the rumpling of the (001) surface for BaZrO3 with the BaO termination is stronger than that of BaTiO3. The origin of the different surface relaxation behavior between the two materials is discussed. The surface state appears in the band structure of the ZrO2-terminated surface of BaZrO3." @default.
- W1659173623 created "2016-06-24" @default.
- W1659173623 creator A5021656770 @default.
- W1659173623 creator A5065217658 @default.
- W1659173623 creator A5073462371 @default.
- W1659173623 creator A5080629031 @default.
- W1659173623 date "2006-02-27" @default.
- W1659173623 modified "2023-09-29" @default.
- W1659173623 title "First-principles study of the (001) surface of cubic BaZrO3 and BaTiO3" @default.
- W1659173623 cites W1845341135 @default.
- W1659173623 cites W1875689429 @default.
- W1659173623 cites W1906438028 @default.
- W1659173623 cites W1973259813 @default.
- W1659173623 cites W1981368803 @default.
- W1659173623 cites W2031333896 @default.
- W1659173623 cites W2041025478 @default.
- W1659173623 cites W2061321970 @default.
- W1659173623 cites W3105820049 @default.
- W1659173623 doi "https://doi.org/10.1063/1.2178416" @default.
- W1659173623 hasPublicationYear "2006" @default.
- W1659173623 type Work @default.
- W1659173623 sameAs 1659173623 @default.
- W1659173623 citedByCount "26" @default.
- W1659173623 countsByYear W16591736232012 @default.
- W1659173623 countsByYear W16591736232013 @default.
- W1659173623 countsByYear W16591736232014 @default.
- W1659173623 countsByYear W16591736232015 @default.
- W1659173623 countsByYear W16591736232016 @default.
- W1659173623 countsByYear W16591736232017 @default.
- W1659173623 countsByYear W16591736232019 @default.
- W1659173623 countsByYear W16591736232020 @default.
- W1659173623 crossrefType "journal-article" @default.
- W1659173623 hasAuthorship W1659173623A5021656770 @default.
- W1659173623 hasAuthorship W1659173623A5065217658 @default.
- W1659173623 hasAuthorship W1659173623A5073462371 @default.
- W1659173623 hasAuthorship W1659173623A5080629031 @default.
- W1659173623 hasConcept C107551265 @default.
- W1659173623 hasConcept C121332964 @default.
- W1659173623 hasConcept C125469278 @default.
- W1659173623 hasConcept C15744967 @default.
- W1659173623 hasConcept C171250308 @default.
- W1659173623 hasConcept C185592680 @default.
- W1659173623 hasConcept C192562407 @default.
- W1659173623 hasConcept C197751951 @default.
- W1659173623 hasConcept C2524010 @default.
- W1659173623 hasConcept C26873012 @default.
- W1659173623 hasConcept C2776029896 @default.
- W1659173623 hasConcept C2776799497 @default.
- W1659173623 hasConcept C2779227376 @default.
- W1659173623 hasConcept C2984360167 @default.
- W1659173623 hasConcept C33923547 @default.
- W1659173623 hasConcept C542102704 @default.
- W1659173623 hasConcept C77805123 @default.
- W1659173623 hasConcept C79689650 @default.
- W1659173623 hasConcept C8010536 @default.
- W1659173623 hasConceptScore W1659173623C107551265 @default.
- W1659173623 hasConceptScore W1659173623C121332964 @default.
- W1659173623 hasConceptScore W1659173623C125469278 @default.
- W1659173623 hasConceptScore W1659173623C15744967 @default.
- W1659173623 hasConceptScore W1659173623C171250308 @default.
- W1659173623 hasConceptScore W1659173623C185592680 @default.
- W1659173623 hasConceptScore W1659173623C192562407 @default.
- W1659173623 hasConceptScore W1659173623C197751951 @default.
- W1659173623 hasConceptScore W1659173623C2524010 @default.
- W1659173623 hasConceptScore W1659173623C26873012 @default.
- W1659173623 hasConceptScore W1659173623C2776029896 @default.
- W1659173623 hasConceptScore W1659173623C2776799497 @default.
- W1659173623 hasConceptScore W1659173623C2779227376 @default.
- W1659173623 hasConceptScore W1659173623C2984360167 @default.
- W1659173623 hasConceptScore W1659173623C33923547 @default.
- W1659173623 hasConceptScore W1659173623C542102704 @default.
- W1659173623 hasConceptScore W1659173623C77805123 @default.
- W1659173623 hasConceptScore W1659173623C79689650 @default.
- W1659173623 hasConceptScore W1659173623C8010536 @default.
- W1659173623 hasIssue "9" @default.
- W1659173623 hasLocation W16591736231 @default.
- W1659173623 hasOpenAccess W1659173623 @default.
- W1659173623 hasPrimaryLocation W16591736231 @default.
- W1659173623 hasRelatedWork W1659173623 @default.
- W1659173623 hasRelatedWork W2019818421 @default.
- W1659173623 hasRelatedWork W2082294360 @default.
- W1659173623 hasRelatedWork W2084393166 @default.
- W1659173623 hasRelatedWork W2323126590 @default.
- W1659173623 hasRelatedWork W2334262950 @default.
- W1659173623 hasRelatedWork W2618086965 @default.
- W1659173623 hasRelatedWork W2887247314 @default.
- W1659173623 hasRelatedWork W4306971710 @default.
- W1659173623 hasRelatedWork W968709238 @default.
- W1659173623 hasVolume "88" @default.
- W1659173623 isParatext "false" @default.
- W1659173623 isRetracted "false" @default.
- W1659173623 magId "1659173623" @default.
- W1659173623 workType "article" @default.