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Ab Initio Studies of AlSb (001) Adatom Behavior and Reconstruction

Published online by Cambridge University Press:  10 February 2011

N. A. Modine ,
Hanchul Kim  and
E. Kaxiras
N. A. Modine
Affiliation:
Sandia National Laboratories, Albuquerque, New Mexico 87185
Hanchul Kim
Affiliation:
Department of Physics, Harvard University, Cambridge, Massachusetts 02138
E. Kaxiras
Affiliation:
Department of Physics, Harvard University, Cambridge, Massachusetts 02138
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Abstract

We discuss a recent investigation of adatom behavior on the AlSb(001) surface using first-principles electronic structure methods based on the density functional theory. For Al and Sb adatoms, we find a number of novel adatom structures that differ dramatically from previous results for the superficially similar group-III arsenides. In particular, we conclude that it is energetically favorable for an Al adatom to incorporate substitutionally into the outermost layer of the AlSb surface. This observation helps motivate a proposed new reconstruction for the AlSb(001) surface. Finally, we argue that the unusual adatom behavior identified for this surface probably results from the presence of a dimer row composed of a double layer of group-V atoms in the reconstruction, and therefore, it should be generic to all of the antimonides, as well as, the c(4 × 4) reconstruction of the arsenides and phosphides.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 618: Symposium K – Morphological & Compositional Evolution of Heteroepitaxial… , 2000 , 11
Copyright
Copyright © Materials Research Society 2000

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References

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