English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

The structure and energetics of Ge substitutional defects on thealpha-Sn/Ge(111) surface are analyzed using Density Functional Theory (DFT)molecular dynamics (MD) simulations. An isolated Ge defect induces a very localdistortion of the 3x3 reconstruction, confined to a significant downwardsdisplacement (-0.31 A) at the defect site and a modest upward displacement(0.05 A) of the three Sn nearest neighbours with partially occupied danglingbonds. Dynamical fluctuations between the two degenerate ground states yieldthe six-fold symmetry observed around a defect in the experiments at roomtemperature. Defect-defect interactions are controlled by the energetics of thedeformation of the 3x3 structure: They are negligible for defects on thehoneycomb lattice and quite large for a third defect on the hexagonal lattice,explaining the low temperature defect ordering.Comment: 4 pages, Revtex, 7 Encapsulated Postscript figures, uses epsf.sty.  Submitted to Phys. Rev. Let

Ge substitutional defects and the $\surd$ 3 $times$$\surd$ 3 $\leftrightarrow$ 3 $times$ 3 transition in $\alpha$-Sn/Ge(111)