Dresden 2020 – scientific programme
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O: Fachverband Oberflächenphysik
O 24: Poster Session - Electronic-Structure Theory: General
O 24.1: Poster
Monday, March 16, 2020, 18:15–20:00, P1A
Surface influence on the electronic properties of GaAs(001) — •Isaac A. Ruiz-Alvarado1, Alfonso Lastras-Martínez1, and Milton Muñoz-Navia2 — 1IICO, UASLP, San Luis Potosí, México — 2CONACYT-IFUASLP, San Luis Potosí México
Tailoring materials properties nowadays requires alloying individual properties. Due to its open scientific questions and technological implications, combining Ga and As (GaAs) is a long standing binary system of interest. Recently, the Reflectance Difference Spectroscopy (RDS), has re-emerge as a powerful technique to characterize and monitor the specific in situ growth in surfaces. However, for the system of interest (GaAs), in the literature several possible surface reconstructions are proposed. The physics behind the optical anisotropies related to the surfaces is an open question and not yet resolved with (RDS). Understanding the physics that gives rise to the reconstruction of GaAs (2x4) surface, and its implications in the (RDS), is interesting from a scientific and technological point of view. In this work, we discussed the structural energy landscape of several possible reconstructions in GaAs (2x4) surface. In the framework of a density functional theory using projector-augmented-wave method, with an exchange correlation potential in the form of the generalized gradient approximation (GGA), the electronic structure of the different surface reconstructions (namely α, α2, β, β2 and β3) are obtained. Our results show that the energy landscape of the surface reconstructions of the GaAs system can be discuss in terms of the layer by layer mobility influence and the dependence in the concentration (As or Ga rich structure).