Te covered Si(001): a variable surface reconstruction

Details Te covered Si(001): a variable surface reconstruction Te covered Si(001): a variable surface reconstruction

2001-05-22

arxiv.org/abs/cond-mat/0105438v1

Physics

Condensed Matter

Materials Science

4 pages, 3 gif figures

Scientific paper

10.1103/PhysRevB.64.193310

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.

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