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Phys. Rev. Lett. 77, 1063–1066 (1996)

Theoretical Scanning Tunneling Microscopy Images of the As Vacancy on the GaAs(110) Surface

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Hanchul Kim and James R. Chelikowsky
Department of Chemical Engineering and Materials Science, Minnesota Supercomputer Institute, University of Minnesota, Minneapolis, Minnesota 55455-0132

Received 19 April 1996; published in the issue dated 5 August 1996

The atomic and electronic structure of an As vacancy on the GaAs(110) surface is examined using ab initio pseudopotentials. The relaxed atomic structure reveals an inward movement of the neighboring surface Ga atoms which is in disagreement with recent interpretations of the scanning tunneling microscopy (STM) images for this system. However, a careful analysis of the wave-function character of the vacancy states, and the theoretical STM image, for this geometry yields excellent agreement with the experimental STM images.

© 1996 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.77.1063
DOI:
10.1103/PhysRevLett.77.1063
PACS:
61.16.Ch, 68.35.Bs, 73.20.Hb

See Also

Comment: J. Harper, G. Lengel, R. E. Allen, and M. Weimer, Comment on ``Theoretical Scanning Tunneling Microscopy Images of the As Vacancy on the GaAs(110) Surface'', Phys. Rev. Lett. 79, 3314 (1997).

Reply: Hanchul Kim and James R. Chelikowsky, Kim and Chelikowsky Reply:, Phys. Rev. Lett. 79, 3315 (1997).