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Ab initio study of energy band structures of GaAs nanoclusters
KTH, Skolan för bioteknologi (BIO), Teoretisk kemi (stängd 20110512).
KTH, Skolan för bioteknologi (BIO), Teoretisk kemi (stängd 20110512).
KTH, Skolan för bioteknologi (BIO), Teoretisk kemi (stängd 20110512).
KTH, Skolan för bioteknologi (BIO), Teoretisk kemi (stängd 20110512).ORCID-id: 0000-0002-2442-1809
2009 (engelsk)Inngår i: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 94, nr 9Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

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.

sted, utgiver, år, opplag, sider
2009. Vol. 94, nr 9
Emneord [en]
ab initio calculations, conduction bands, effective mass, gallium, arsenide, III-V semiconductors, nanostructured materials, electronic states, laser-ablation, quantum dots, nanocrystals, nanoparticles
Identifikatorer
URN: urn:nbn:se:kth:diva-18284DOI: 10.1063/1.3094914ISI: 000264523100044Scopus ID: 2-s2.0-62149118935OAI: oai:DiVA.org:kth-18284DiVA, id: diva2:336330
Merknad
QC 20100525Tilgjengelig fra: 2010-08-05 Laget: 2010-08-05 Sist oppdatert: 2017-12-12bibliografisk kontrollert

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