Engineering energy gap of the carbon saturated nanowire and investigation of ammonia molecule doping effects by using initial calculations (Ab initio).

Engineering energy gap of the carbon saturated nanowire and investigation of ammonia molecule doping effects by using initial calculations (Ab initio).

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 perfor...

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Bibliographic Details
Main Authors: F marsusi, S M monavari
Format: Article
Language:English
Published: Isfahan University of Technology 2018-09-01
Series:Iranian Journal of Physics Research
Subjects:
Dopant
Ammonia
Diamond
cut of energy
growth orientation
self-consistent field
density of states
quantum confinement
band gap
nanowire
density functional theory.
Online Access:http://ijpr.iut.ac.ir/browse.php?a_code=A-10-2789-2&slc_lang=en&sid=1

Internet

http://ijpr.iut.ac.ir/browse.php?a_code=A-10-2789-2&slc_lang=en&sid=1

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