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


Autoria(s): Pi Pericay, Martí; Royo, Miguel; Planelles, Josep (Planelles Fuster)
Contribuinte(s)

Universitat de Barcelona

Data(s)

19/04/2012

Resumo

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.

Identificador

http://hdl.handle.net/2445/24170

Idioma(s)

eng

Publicador

American Institute of Physics

Direitos

(c) American Institute of Physics, 2006

info:eu-repo/semantics/openAccess

Palavras-Chave #Propietats elèctriques #Estructura electrònica #Electronic structure #Electric properties
Tipo

info:eu-repo/semantics/article