1999
DOI: 10.1016/s0039-6028(98)00921-2
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Migration process of an Al adatom on the Si(111) surface

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Cited by 16 publications
(2 citation statements)
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“…The influence of the embedding H atoms has already been shown to be trivial if they are located at the third-nearest neighbors from the reacting atom. 5,19,20 Geometry optimizations were executed for each cluster to determine the stationary points on the potentialenergy hypersurface; i.e., the stable states and the transition state of the reaction. During geometry optimization, all Si and O atoms were allowed to move within a constraint of the mirror symmetry, whereas the embedding H atoms were fixed at ideal crystalline positions.…”
Section: Methods Of Calculationmentioning
confidence: 99%
“…The influence of the embedding H atoms has already been shown to be trivial if they are located at the third-nearest neighbors from the reacting atom. 5,19,20 Geometry optimizations were executed for each cluster to determine the stationary points on the potentialenergy hypersurface; i.e., the stable states and the transition state of the reaction. During geometry optimization, all Si and O atoms were allowed to move within a constraint of the mirror symmetry, whereas the embedding H atoms were fixed at ideal crystalline positions.…”
Section: Methods Of Calculationmentioning
confidence: 99%
“…Even though there are many experimental studies of group IIIA nitrides , deposited on Si(111) and mainly on the growth of their films on Si(111) surface, theoretical studies have been almost entirely devoted to the adsorption of group IIIA metal atoms (B, Al, Ga, In) on Si(111) (see, for instance, refs 18 and references therein), while recently work was published by the present authors on Ga as well as on gallium nitrides adsorbed on Si(111). , …”
Section: Introductionmentioning
confidence: 98%