Journal
APPLIED PHYSICS LETTERS
Volume 94, Issue 9, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3094914
Keywords
ab initio calculations; conduction bands; effective mass; gallium arsenide; III-V semiconductors; nanostructured materials
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Funding
- Carl Tryggers Stiftelse (CTS), Sweden
- Swedish National Infrastructure for Computing [SNIC 001-08-129]
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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.
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