To access the full text documents, please follow this link: http://hdl.handle.net/2445/24170

A consistent extension of the local spin density approximation to account for quantum dot mass and dielectric mismatches
Pi Pericay, Martí; Royo, Miguel; Planelles, Josep (Planelles Fuster)
Universitat de Barcelona
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.
Propietats elèctriques
Estructura electrònica
Electronic structure
Electric properties
(c) American Institute of Physics, 2006
Article
American Institute of Physics
         

Show full item record

Related documents

Other documents of the same author

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

Coordination

 

Supporters