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Phys. Rev. B 17, 1770–1777 (1978)

Excitations in amorphous pyramidally bonded solids. I. Electrons

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W. B. Pollard and J. D. Joannopoulos
Department of Physics, Massachusetts Institute of Technology, Research Laboratory of Electronics
Center for Materials Science and Engineering, Cambridge, Massachusetts 02139

Received 12 August 1976; revised 29 July 1977; published in the issue dated 15 February 1978

The electronic and phonon state densities of amorphous pyramidally bonded solids are calculated. These solids are shown to exhibit a unique isomorphism between the electronic and vibrational state densities. This atypical correspondence between the state densities suggests that a study of the electronic states can be used to understand the vibrational states. Arsenic, which epitomizes pyramidally bonded solids, is chosen as a prototype. Our results reproduce the trends founds in the x-ray photoemission data (XPS) for rhombohedral and amorphous As. The effects of bond-angle variations and topological disorder upon the s- and p -like regions of the XPS spectra are investigated. A prescription is given by which the behavior of the p-like electrons in pyramidally bonded solids can be understood in terms of the behavior of the s-like electrons.

© 1978 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.17.1770
DOI:
10.1103/PhysRevB.17.1770
PACS:

See Also

See Also: W. B. Pollard and J. D. Joannopoulos, Excitations in amorphous pyramidally bonded solids. II. Phonons, Phys. Rev. B 17, 1778 (1978).