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. Onida
Secondo
;
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.
Settore FIS/03 - Fisica della Materia
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/192225
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