Determination of the electron effective band mass in amorphous carbon from density-functional theory calculations

J. T. Titantah and D. Lamoen
Phys. Rev. B 70, 033101 – Published 7 July 2004

Abstract

We generate a series of amorphous carbon materials of densities varying between 2.0 and 3.5gcm3. Their dielectric functions are calculated within the density-functional theory approach, and the low-loss electron energy-loss spectra are evaluated. The dependence of the π+σ plasmon energy Ep on the valence electron density (ne) is determined. We find that the free-electron model in which Epne0.5 is valid. The coefficient of proportionality leads to a ratio of the electron-effective band mass m* to the free-electron mass m of m*m=0.87, which is the value obtained using measurements based on the grazing-angle x-ray reflectivity and electron energy-loss spectroscopy [see A. C. Ferrari et al., Phys. Rev. B 62, 11089 (2000)]. This result supports the reliability of amorphous carbon mass densities obtained from EELS data when an electron-effective mass of 0.87m is used.

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  • Received 12 February 2004

DOI:https://doi.org/10.1103/PhysRevB.70.033101

©2004 American Physical Society

Authors & Affiliations

J. T. Titantah and D. Lamoen

  • TSM, Departement Natuurkunde, Universiteit Antwerpen, Groenenborgerlaan 171, 2020 Antwerpen, Belgium

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Issue

Vol. 70, Iss. 3 — 15 July 2004

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