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Phys. Rev. B 7, 2644–2657 (1973)

Electronic Properties of Complex Crystalline and Amorphous Phases of Ge and Si. I. Density of States and Band Structures

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J. D. Joannopoulos and Marvin L. Cohen
Department of Physics, University of California, Berkeley, California 94720
Inorganic Materials Research Division, Lawrence Berkeley Laboratory, Berkeley, California 94720

Received 15 September 1972; published in the issue dated 15 March 1973

We present calculations of the band structures and densities of states of Ge and Si in the diamond, wurzite, Si-III (BC-8), and Ge-III (ST-12) structures using the empirical-pseudopotential method and the tight-binding model used recently by Weaire. The increasing complexity of the crystal structures indicates that short-range disorder is able to account well for the density of states and optical properties of amorphous Ge and Si. This calculation also provides a method for explaining various features in the amorphous density of states and shows what structural aspects of the amorphous state are responsible for these features.

© 1973 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.7.2644
DOI:
10.1103/PhysRevB.7.2644
PACS:

See Also

See Also: J. D. Joannopoulos and Marvin L. Cohen, Electronic Properties of Complex Crystalline and Amorphous Phases of Ge and Si. II. Band Structure and Optical Properties, Phys. Rev. B 8, 2733 (1973).