Electronic Structure of Single-Wall Silicon Nanotubes and Silicon Nanoribbons: Helical Symmetry Treatment and Effect of DimensionalityReport as inadecuate




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Advances in Condensed Matter PhysicsVolume 2013 2013, Article ID 374371, 16 pages

Research Article

Chemical Physics Division, Institute of Chemistry, Faculty of Natural Sciences, Comenius University, Mlynska Dolina CH2, 84215 Bratislava, Slovakia

Department of Inorganic Chemistry, Faculty of Natural Sciences, Comenius University, Mlynska Dolina CH2, 84215 Bratislava, Slovakia

Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dubravska Cesta 9, 84536 Bratislava, Slovakia

Received 18 February 2013; Accepted 1 May 2013

Academic Editor: Jan Alexander Jung

Copyright © 2013 Pavol Baňacký et al.
This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

Helical method of tube formation and Hartree-Fock SCF method modified for periodic solids have been applied in study of electronic properties of single-wall silicon nanotubes SWSiNT, silicone sheet, and nanoribbons SiNR.
The results obtained for nanotubes in wide diameter range of different helicity types have shown that metallics are only SWSiNTs with diameter up to <6.3 Å due to the effect of curvature, which induces coupling of and orbitals.
From the calculated band structure results that, irrespective of helicity, the SWSiNTs of larger diameter are small-gap semiconductors with direct gap between the Dirac-like cones of bands.
Gap of SWSiNTs is modulated by fold number of particular tubular rotational axis symmetry and exhibits an oscillatory-decreasing character with increase of the tube diameter.
Oscillations are damped and gap decreases toward 0.33 eV for tube diameter ≈116 Å.
Irrespective of the width, the SiNRs are small-gap semiconductors, characteristic by oscillatory decreasing gap with increasing ribbon widths.
The gap of SWSiNTs and SiNRs is tuneable through modulation of tube diameter or ribbon width, respectively.
The SiNRs and SWSiNTs could be fully compatible with contemporary silicon-based microelectronics and could serve as natural junction and active elements in field of nonomicrotechnologies.





Author: Pavol Baňacký, Jozef Noga, and Vojtech Szöcs

Source: https://www.hindawi.com/



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