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

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dc.contributor	Universitat de Barcelona
dc.contributor.author	Pi Pericay, Martí
dc.contributor.author	Royo, Miguel
dc.contributor.author	Planelles, Josep (Planelles Fuster)
dc.date	2012-04-19T09:19:38Z
dc.date	2012-04-19T09:19:38Z
dc.date	2006-10-12
dc.identifier.citation	0021-8979
dc.identifier.citation	557054
dc.identifier.uri	http://hdl.handle.net/2445/24170
dc.format	6 p.
dc.format	application/pdf
dc.language.iso	eng
dc.publisher	American Institute of Physics
dc.relation	Reproducció del document publicat a: http://dx.doi.org/10.1063/1.2356791
dc.relation	Journal of Applied Physics, 2006, vol. 100, núm. 7, p. 73712-1-73712-6
dc.relation	http://dx.doi.org/10.1063/1.2356791
dc.rights	(c) American Institute of Physics, 2006
dc.rights	info:eu-repo/semantics/openAccess
dc.subject	Propietats elèctriques
dc.subject	Estructura electrònica
dc.subject	Electronic structure
dc.subject	Electric properties
dc.title	A consistent extension of the local spin density approximation to account for quantum dot mass and dielectric mismatches
dc.type	info:eu-repo/semantics/article
dc.type	info:eu-repo/semantics/publishedVersion
dc.description.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.

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