Matches in SemOpenAlex for { <https://semopenalex.org/work/W4235101871> ?p ?o ?g. }
- W4235101871 endingPage "L758" @default.
- W4235101871 startingPage "L752" @default.
- W4235101871 abstract "The Stillinger-Weber model potential is applied to study the Si(001) 2 × 1 surface. Molecular dynamics computer simulation has used a cluster of 1280 atoms with periodic boundary conditions in two dimensions, the surface-vacuum interface being modelled by a slab configuration containing twenty atomic planes. It is shown that the model potential readily leads to a dimer model with substantial sub-surface relaxations. The model is free of any y-twist (direction normal to the dimerization direction) which was invoked by a LEED investigation. The electronic total energy calculations for the present model give significantly lower energy than a simple dimer model without sub-surface relaxations but not lower than the asymmetric buckled dimer model. The calculation also suggests that molecular dynamics with a model silicon potential may provide a useful starting point for a complex reconstruction which can be further imporved by other first principles methods." @default.
- W4235101871 created "2022-05-12" @default.
- W4235101871 creator A5041282462 @default.
- W4235101871 creator A5050287613 @default.
- W4235101871 date "1985-11-01" @default.
- W4235101871 modified "2023-09-28" @default.
- W4235101871 title "A model potential study of the Si(001) 2 × 1 surface" @default.
- W4235101871 cites W1964886118 @default.
- W4235101871 cites W1967083888 @default.
- W4235101871 cites W1968530028 @default.
- W4235101871 cites W1977230706 @default.
- W4235101871 cites W1977973449 @default.
- W4235101871 cites W1981003329 @default.
- W4235101871 cites W1987495202 @default.
- W4235101871 cites W1992753351 @default.
- W4235101871 cites W1993847057 @default.
- W4235101871 cites W1995345518 @default.
- W4235101871 cites W2001265227 @default.
- W4235101871 cites W2004113739 @default.
- W4235101871 cites W2008597722 @default.
- W4235101871 cites W2010375817 @default.
- W4235101871 cites W2020181630 @default.
- W4235101871 cites W2020983705 @default.
- W4235101871 cites W2021678748 @default.
- W4235101871 cites W2023659673 @default.
- W4235101871 cites W2030140933 @default.
- W4235101871 cites W2043709617 @default.
- W4235101871 cites W2049544639 @default.
- W4235101871 cites W2051256374 @default.
- W4235101871 cites W2056645702 @default.
- W4235101871 cites W2061701672 @default.
- W4235101871 cites W2062677926 @default.
- W4235101871 cites W2063772550 @default.
- W4235101871 cites W2064393765 @default.
- W4235101871 cites W2066038783 @default.
- W4235101871 cites W2066386433 @default.
- W4235101871 cites W2066901269 @default.
- W4235101871 cites W2074045165 @default.
- W4235101871 cites W2075061347 @default.
- W4235101871 cites W2086798543 @default.
- W4235101871 cites W2088228837 @default.
- W4235101871 cites W2088322887 @default.
- W4235101871 cites W2091795278 @default.
- W4235101871 cites W2096516455 @default.
- W4235101871 cites W4211023340 @default.
- W4235101871 doi "https://doi.org/10.1016/0039-6028(85)91055-6" @default.
- W4235101871 hasPublicationYear "1985" @default.
- W4235101871 type Work @default.
- W4235101871 citedByCount "93" @default.
- W4235101871 countsByYear W42351018712013 @default.
- W4235101871 crossrefType "journal-article" @default.
- W4235101871 hasAuthorship W4235101871A5041282462 @default.
- W4235101871 hasAuthorship W4235101871A5050287613 @default.
- W4235101871 hasConcept C113740112 @default.
- W4235101871 hasConcept C121332964 @default.
- W4235101871 hasConcept C125277925 @default.
- W4235101871 hasConcept C147597530 @default.
- W4235101871 hasConcept C159467904 @default.
- W4235101871 hasConcept C178790620 @default.
- W4235101871 hasConcept C184779094 @default.
- W4235101871 hasConcept C185592680 @default.
- W4235101871 hasConcept C20885615 @default.
- W4235101871 hasConcept C2524010 @default.
- W4235101871 hasConcept C2776196297 @default.
- W4235101871 hasConcept C2776372370 @default.
- W4235101871 hasConcept C2776799497 @default.
- W4235101871 hasConcept C2779546866 @default.
- W4235101871 hasConcept C32909587 @default.
- W4235101871 hasConcept C33923547 @default.
- W4235101871 hasConcept C41999313 @default.
- W4235101871 hasConcept C544956773 @default.
- W4235101871 hasConcept C59593255 @default.
- W4235101871 hasConcept C8058405 @default.
- W4235101871 hasConcept C84551667 @default.
- W4235101871 hasConceptScore W4235101871C113740112 @default.
- W4235101871 hasConceptScore W4235101871C121332964 @default.
- W4235101871 hasConceptScore W4235101871C125277925 @default.
- W4235101871 hasConceptScore W4235101871C147597530 @default.
- W4235101871 hasConceptScore W4235101871C159467904 @default.
- W4235101871 hasConceptScore W4235101871C178790620 @default.
- W4235101871 hasConceptScore W4235101871C184779094 @default.
- W4235101871 hasConceptScore W4235101871C185592680 @default.
- W4235101871 hasConceptScore W4235101871C20885615 @default.
- W4235101871 hasConceptScore W4235101871C2524010 @default.
- W4235101871 hasConceptScore W4235101871C2776196297 @default.
- W4235101871 hasConceptScore W4235101871C2776372370 @default.
- W4235101871 hasConceptScore W4235101871C2776799497 @default.
- W4235101871 hasConceptScore W4235101871C2779546866 @default.
- W4235101871 hasConceptScore W4235101871C32909587 @default.
- W4235101871 hasConceptScore W4235101871C33923547 @default.
- W4235101871 hasConceptScore W4235101871C41999313 @default.
- W4235101871 hasConceptScore W4235101871C544956773 @default.
- W4235101871 hasConceptScore W4235101871C59593255 @default.
- W4235101871 hasConceptScore W4235101871C8058405 @default.
- W4235101871 hasConceptScore W4235101871C84551667 @default.
- W4235101871 hasIssue "2-3" @default.
- W4235101871 hasLocation W42351018711 @default.
- W4235101871 hasOpenAccess W4235101871 @default.