Title: Effect of Al doping on band gap of pentagonal cross section SiNWs

Authors: Sana Kausar; Shirish Joshi; Anurag Srivastava

Addresses: Department of Physics, Govt. M.V.M. College Bhopal, 462001, Madhya Pradesh, India ' Department of Physics, Govt. M.V.M. College Bhopal, 462001, Madhya Pradesh, India ' Advanced Material Research Group, Computational Nanoscience and Technology Lab, ABV-Indian Institute of Information Technology and Management Gwalior, Morena Link Road, Gwalior Madhya Pradesh, 474010, India

Abstract: In this work band structure of silicon nanowires (SiNWs), oriented along [111] direction having pentagonal cross section was studied by using generalised geometry approximation (GGA). SiNWs was passivated with hydrogen. Further the effect of doping of aluminium atom on band structure of hydrogen passivated SiNWS is analysed. It is found that the band gap of Si nanowire get reduce on doping it with Al atom and doped nanowire starts behaving as bulk silicon.

Keywords: CASTEP; DFT; generalised geometry approximation; GGA; aluminium doping; band gap; pentagonal cross section SiNWs; silicon nanowires; nanotechnology; bulk silicon.

DOI: 10.1504/IJNP.2014.062031

International Journal of Nanoparticles, 2014 Vol.7 No.1, pp.49 - 56

Received: 02 Jan 2013
Accepted: 11 Dec 2013
Published online: 30 Jun 2014 *

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