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Title: | A consistent extension of the local spin density approximation to account for quantum dot mass and dielectric mismatches |
Author: | Pi Pericay, Martí Royo, Miguel Planelles, Josep (Planelles Fuster) |
Keywords: | Propietats elèctriques Estructura electrònica Electronic structure Electric properties |
Issue Date: | 12-Oct-2006 |
Publisher: | American Institute of Physics |
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. |
Note: | Reproducció del document publicat a: http://dx.doi.org/10.1063/1.2356791 |
It is part of: | Journal of Applied Physics, 2006, vol. 100, núm. 7, p. 73712-1-73712-6 |
URI: | http://hdl.handle.net/2445/24170 |
Related resource: | http://dx.doi.org/10.1063/1.2356791 |
ISSN: | 0021-8979 |
Appears in Collections: | Articles publicats en revistes (Física Quàntica i Astrofísica) |
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File | Description | Size | Format | |
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557054.pdf | 113.57 kB | Adobe PDF | View/Open |
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