FIRST-PRINCIPLES STUDY OF THE OPTICAL-PROPERTIES AND THE DIELECTRIC RESPONSE OF AL

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We investigate the optical properties and the dielectric response of Al through self-consistent Qb initio pseudopotential calculations. The frequency and wave-vector-dependent dielectric function of Al is calculated for both the real and imaginary parts within the random-phase approximation. The accuracy of the calculations is tested using Kramers-Kronig relations and sum rules. In the limit q --> 0, we find major optical peaks at 0.5 and 1.5 eV, which originated from the electronic structure, in good agreement with experimental data. For the wave vectors along the [100] direction, the electron-energy-loss function is calculated to examine the plasmon mode. Considering the exchange-correlation and core polarization effects, we find good agreement of the calculated plasma frequencies with experiments. The anisotropy of the plasmon dispersion is also investigated.
Publisher
AMERICAN PHYSICAL SOC
Issue Date
1994-01
Language
English
Article Type
Article
Keywords

PLASMON DISPERSION; MOMENTUM-SPACE; SIMPLE METALS; ALUMINUM; ENERGY; SPECTRUM; SILICON; SEMICONDUCTORS; ABSORPTION

Citation

PHYSICAL REVIEW B, v.49, no.4, pp.2362 - 2367

ISSN
0163-1829
URI
http://hdl.handle.net/10203/64435
Appears in Collection
PH-Journal Papers(저널논문)
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