We consider the electronic structure and optical properties for several geometries of the GaAs(001)-c(4x4) surface using first-principles calculations. We find strong evidence that the best agreement with photoemission and reflectance anisotropy spectroscopy experiments carried out on surfaces prepared under As-4 flux is obtained for a structure containing three Ga-As dimers per unit cell. The standard As-As dimer model yields similar, but distinguishable results, while an asymmetric dimer model is found to yield completely incompatible surface spectra.
Geometric structure and optical properties of the GaAs(001)-c(4 X 4) surface / Hogan, C.; Placidi, E.; Del Sole, R.. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - 71:4(2005). [10.1103/PhysRevB.71.041308]
Geometric structure and optical properties of the GaAs(001)-c(4 X 4) surface
Placidi E.Secondo
;
2005
Abstract
We consider the electronic structure and optical properties for several geometries of the GaAs(001)-c(4x4) surface using first-principles calculations. We find strong evidence that the best agreement with photoemission and reflectance anisotropy spectroscopy experiments carried out on surfaces prepared under As-4 flux is obtained for a structure containing three Ga-As dimers per unit cell. The standard As-As dimer model yields similar, but distinguishable results, while an asymmetric dimer model is found to yield completely incompatible surface spectra.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
