Te covered Si(001): a variable surface reconstruction

Date

2001

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Abstract

At a given temperature, clean and adatom covered silicon surfaces usually exhibit well-defined reconstruction patterns. Our finite temperature ab initio molecular dynamics calculations show that the tellurium covered Si(001) surface is an exception. Soft longitudinal modes of surface phonons due to the strongly anharmonic potential of the bridged tellurium atoms prevent the reconstruction structure from attaining any permanent, two-dimensional periodic geometry. This explains why experiments attempting to find a definite model for the reconstruction have reached conflicting conclusions.

Source Title

Physical Review B - Condensed Matter and Materials Physics

Publisher

American Physical Society

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Published Version (Please cite this version)

Language

English