A consistent extension of the local spin density approximation to account for quantum dot mass and dielectric mismatches

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Título:	A consistent extension of the local spin density approximation to account for quantum dot mass and dielectric mismatches
Autor/a:	Pi Pericay, Martí; Royo, Miguel; Planelles, Josep (Planelles Fuster)
Otros autores:	Universitat de Barcelona
Abstract:	A consistent extension of local spin density approximation (LSDA) to account for mass and dielectric mismatches in nanocrystals is presented. The extension accounting for variable effective mass is exact. Illustrative comparisons with available configuration interaction calculations show that the approach is also very reliable when it comes to account for dielectric mismatches. The modified LSDA is as fast and computationally low demanding as LSDA. Therefore, it is a tool suitable to study large particle systems in inhomogeneous media without much effort.
Materia(s):	-Propietats elèctriques -Estructura electrònica -Electronic structure -Electric properties
Derechos:	(c) American Institute of Physics, 2006
Tipo de documento:	Artículo Artículo - Versión publicada
Editor:	American Institute of Physics
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Royo, Miguel; Planelles, Josep (Planelles Fuster); Pi Pericay, Martí

Royo, Miguel; Malet i Giralt, Francesc; Barranco Gómez, Manuel; Pi Pericay, Martí; Planelles, Josep (Planelles Fuster)

Planelles, Josep (Planelles Fuster); Royo, Miguel; Pi Pericay, Martí

Climente, J. I.; Planelles, Josep (Planelles Fuster); Pi Pericay, Martí; Malet i Giralt, Francesc

Climente, J. I.; Planelles, Josep (Planelles Fuster); Barranco Gómez, Manuel; Malet i Giralt, Francesc; Pi Pericay, Martí

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