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Phys. Rev. B 17, 1816–1827 (1978)

Electronic states at unrelaxed and relaxed GaAs (110) surfaces

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Eugene J. Mele and J. D. Joannopoulos
Department of Physics, Research Laboratory of Electronics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139

Received 4 May 1977; published in the issue dated 15 February 1978

We have shown that, using a general class of Hamiltonians, the transfer-matrix technique may be used to obtain exact solutions for the electronic states at any crystal surface bounded by semi-infinite bulk. This result is formally generalized as a theorem and is used to study the electronic states at a clean GaAs (110) surface. The calculation employs an empirical tight-binding Hamiltonian which realistically models the GaAs surface and allows meaningful comparison with both experiments and self-consistent pseudopotential calculations. Surface states are calculated for the clean (110) surface, and a variety of structural relaxations are studied.

© 1978 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.17.1816
DOI:
10.1103/PhysRevB.17.1816
PACS: