Abstract

Triple steps on Si(111) surfaces are popular building blocks for bottom-up nanostructure assembly, conferring size uniformity and precise positioning of growing nanostructures. In this work, we employ the Si(7 7 10) regular stepped surface as model system to study the triple steps by scanning tunneling microscopy (STM) and large-scale first-principles calculations. We find a surprising cohabitation of reconstruction elements at the step edge that either buckles statically or dynamically at room temperature. The driving force for the observed sequence of buckling patterns is traced back to Coulomb interactions involving charged adatoms and rest-atoms lying on a mini-terrace. These results reconcile the Si(111) triple step model with the experimental STM data.

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