Abstract

The electronic and optical properties of amorphous germanium diselenide are investigated. The electronic densities-of-states and optical constants are calculated. Specific attention is focused on the nature of the dominant bonding conformations in the glass, and the electronic transitions that give rise to different structures in the optical spectra. Comparisons are made with experimental X-ray photoemission and dielectric response measurements. The results indicate that the structure of a-GeSe2 more closely resembles the structure of the high temperature crystalline phase. The principal features in the reported optical spectra in the 0–6 eV range are found to be accounted for in terms of transitions from the p-like region of the valence band to the s and p antibonding regions of the conduction band.

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