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.
Pulci, O., Onida, G., Shkrebtii, A., DEL SOLE, R., Adolph, B. (1997). Plane-wave pseudopotential calculation of the optical properties of GaAs. PHYSICAL REVIEW. B, CONDENSED MATTER, 55(11), 6685-6688 [10.1103/PhysRevB.55.6685].
Plane-wave pseudopotential calculation of the optical properties of GaAs
PULCI, OLIVIA;ONIDA, GIOVANNI;DEL SOLE, RODOLFO;
1997-01-01
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.File in questo prodotto:
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