Volume 19, Issue 2 ((Iranian Journal of Physics Research,Summer 2019)                   IJPR 2019, 19(2): 241-248 | Back to browse issues page

XML Persian Abstract Print

Download citation:
BibTeX | RIS | EndNote | Medlars | ProCite | Reference Manager | RefWorks
Send citation to:

marsusi F, monavari S M. Engineering energy gap of the carbon saturated nanowire and investigating the ammonia molecule doping effects by using the initial calculations (Ab initio). IJPR. 2019; 19 (2) :241-248
URL: http://ijpr.iut.ac.ir/article-1-2346-en.html
Faculty of Physics, Amirkabir University of Technology (Tehran Polytechnic), Tehran, Iran , seyyedmostafamonavari@gmail.com
Abstract:   (547 Views)
In this paper size effects, growth orientation and also doping by Ammonia molecule (NH3) on the carbon nanowire properties with saturated diamond structure by (DNw:H) have been investigated. This study was carried out using DFT theory and Kohn-Sham equation by self-consistent field (SCF) that performed by local density approximation (LDA). The nanowires morphology is cylindrical with [111] growth orientation and their lateral surface was saturated by hydrogen atoms. The results show that band gap of these nanowires is smaller to bulk diamond due to high surface to volume ratio and formation surface level. The results of ammonia molecule doping with carbon surface atoms at saturated diamond nanowire in [100] orientation lead to decrease in band gap until nanowire converted into a n-type semiconductor.

Full-Text [PDF 12 kb]   (121 Downloads)    
Type of Study: Research | Subject: Condensed Matter Physics

Add your comments about this article : Your username or Email:

Send email to the article author

© 2019 All Rights Reserved | Iranian Journal of Physics Research

Designed & Developed by : Yektaweb