First-principles calculations of the electronic properties of silicon quantum wires

First-principles pseudopotential calculations have been performed for H-terminated Si wires with thicknesses from 12 to 23 A, calculating the band gaps and optical matrix elements. Comparison with effective-mass theory shows that the latter is valid for wires wider than 23 A. The data obtained to ha...

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Bibliographic Details
Published in:Physical review letters 1992-08, Vol.69 (8), p.1232-1235
Main Authors: READ, A. J, NEEDS, R. J, NASH, K. J, CANHAM, L. T, CALCOTT, P. D. J, QTEISH, A
Format: Article
Language:English
Subjects:
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures
Exact sciences and technology
Physics
Surface and interface electron states
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Summary:First-principles pseudopotential calculations have been performed for H-terminated Si wires with thicknesses from 12 to 23 A, calculating the band gaps and optical matrix elements. Comparison with effective-mass theory shows that the latter is valid for wires wider than 23 A. The data obtained to have been used analyze the luminescent properties of highly porous Si fabricated by electrochemical etching of Si wafers in HF-based solutions. (Author)
ISSN:0031-9007
1079-7114
DOI:10.1103/PhysRevLett.69.1232