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Phys. Rev. B 60, 13283–13286 (1999)

Cation-rich (100) surface reconstructions of InP and GaP

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S. Mirbt and N. Moll
Department of Physics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139

K. Cho
Division of Mechanics and Computation, Department of Mechanical Engineering, Stanford University, Stanford, California 94305

J. D. Joannopoulos
Department of Physics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139

Received 21 April 1999; published in the issue dated 15 November 1999

The trimer reconstruction of the (100) InP surface which has been discovered experimentally is confirmed by first-principle calculations. The charge density of atomic configuration, which has the lowest surface energy is in perfect agreement with experimental scanning tunneling microscopy images. We predict the same trimer reconstruction also to be observable on GaP (100) surfaces and discuss how local stress makes this reconstruction energetically unfavorable for GaAs.

© 1999 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.60.13283
DOI:
10.1103/PhysRevB.60.13283
PACS:
68.35.Bs, 68.35.Md