We report a first principles calculation of gallium arsenide optical properties based on the density-functional theory in the local-density approximation. The nonlocality of the pseudopotential has a sizable effect on the computed spectrum and on the static dielectric constant. The effect of a ''scissors-operator'' shift of the energy bands is discussed.
Plane-wave pseudopotential calculation of the optical properties of GaAs / O. Pulci, G. Onida, A. Shkrebtii, R. DelSole, B. Adolph. - In: PHYSICAL REVIEW. B, CONDENSED MATTER. - ISSN 0163-1829. - 55:11(1997), pp. 6685-6688.
Plane-wave pseudopotential calculation of the optical properties of GaAs
G. OnidaSecondo
;
1997
Abstract
We report a first principles calculation of gallium arsenide optical properties based on the density-functional theory in the local-density approximation. The nonlocality of the pseudopotential has a sizable effect on the computed spectrum and on the static dielectric constant. The effect of a ''scissors-operator'' shift of the energy bands is discussed.
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