Ab initio study of energy band structures of GaAs nanoclusters
2009 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 94, no 9Article in journal (Refereed) Published
Electronic states and optical transitions of hydrogen terminated GaAs nanoclusters up to 16.9 nm in diameter were studied using a large-scale quantum chemistry approach called central insertion scheme by which the quantum confinement effect is shown to quantitatively agree with experimental results. The ab initio study further reveals that the effective mass of the conduction-band electron (valence-band hole) in the GaAs nanocluster is larger (smaller) than the bulk material value.
Place, publisher, year, edition, pages
2009. Vol. 94, no 9
ab initio calculations, conduction bands, effective mass, gallium, arsenide, III-V semiconductors, nanostructured materials, electronic states, laser-ablation, quantum dots, nanocrystals, nanoparticles
IdentifiersURN: urn:nbn:se:kth:diva-18284DOI: 10.1063/1.3094914ISI: 000264523100044ScopusID: 2-s2.0-62149118935OAI: oai:DiVA.org:kth-18284DiVA: diva2:336330
QC 201005252010-08-052010-08-052012-03-20Bibliographically approved