DEVELOPMENTS IN THE APPLICATION OF THE EFFECTIVE POTENTIAL METHOD IN THE STUDY OF SEMICONDICTOR NANOSTRUCTURES AT THE ATOMIC LEVEL

Jairo Ricardo Cárdenas

Abstract


This paper presents recent developments in the effective potential method for the study of semiconductor nanostructures at the atomic level. By using calculations based on the density functional theory in approaching local density, we demonstrate that the effective potential derivation framework can be extended to different compositions and is not restricted to materials with the same number of anions and cations. We show that this method can be applied to the derivation of atomic impurity potentials. Given the similarity in the results obtained using the effective potential method and the density functional theory, the results allow us to conclude that the new generation of potentials are sufficiently precise to be applied to the study of semiconductor nanostructures in which the number of atoms exceeds the limit for standard calculations made using the density functional theory.

Keywords


Nanoscience, first principles calculations, effective potentials, semi-conductive materials, lowdimensionality systems, atomistic calculations

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