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• W2071279573 endingPage "1915" @default.
• W2071279573 startingPage "1898" @default.
• W2071279573 abstract "The previously developed soft-mode theory of surface reconstruction is applied to the (111) surface of silicon. It is shown that the mutual interaction of surface dynamic effective charges can cause the ideal equilibrium configuration of the surface atoms to be unstable, thus leading to reconstruction. This instability is studied in detail using lattice-dynamical methods and it is found that dynamic effective charges on the order of $0.5e$ can lead to the 2 ifmmodetimeselsetexttimesfi{} 1 reconstruction observed experimentally. The directions in which the atoms displace due to the instability are shown and a new atomic configuration for the reconstructed surface is thereby predicted. The results are found to be nearly independent of the details of surface relaxation, of the distribution of the dynamic effective charges, and of the supposed weakening of the short-range forces in the surface region." @default.
• W2071279573 created "2016-06-24" @default.
• W2071279573 creator A5018597505 @default.
• W2071279573 creator A5062030177 @default.
• W2071279573 date "1978-08-15" @default.
• W2071279573 modified "2023-10-14" @default.
• W2071279573 title "Dynamic effective charge and surface reconstruction on Si(111)" @default.
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• W2071279573 doi "https://doi.org/10.1103/physrevb.18.1898" @default.
• W2071279573 hasPublicationYear "1978" @default.
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